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4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile
A triazole that is benzonitrile substituted by a (1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl group at position 4.

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03. Biological Effects of Specific Chemicals

			epitope [CHEBI:53000] (470)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

08. Chemical Category

			main group molecular entity [CHEBI:33579] (25650)

					s-block molecular entity [CHEBI:33674] (7287)

							hydrogen molecular entity [CHEBI:33608] (6932)

								hydroxides [CHEBI:24651] (5641)

organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

secondary alcohol [CHEBI:35681] (342)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								hydrides [CHEBI:33692] (1374)

									organic hydride [CHEBI:37175] (1178)

organic fundamental parent [CHEBI:33245] (1178)

heterocyclic organic fundamental parent [CHEBI:35552] (537)

mancude organic heterocyclic parent [CHEBI:35571] (481)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organic mancude parent [CHEBI:35573] (488)

mancude organic heterocyclic parent [CHEBI:35571] (481)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

					p-block molecular entity [CHEBI:33675] (25343)

						halogen molecular entity [CHEBI:24471] (1475)

								fluorine molecular entity [CHEBI:24062] (288)

organofluorine compound [CHEBI:37143] (275)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								halide [CHEBI:37578] (1402)

									organohalogen compound [CHEBI:36684] (976)

organofluorine compound [CHEBI:37143] (275)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

						pnictogen molecular entity [CHEBI:33302] (10027)

								nitrogen molecular entity [CHEBI:51143] (7930)

									organonitrogen compound [CHEBI:35352] (6705)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

						chalcogen molecular entity [CHEBI:33304] (15225)

								oxygen molecular entity [CHEBI:25806] (14414)

									hydroxides [CHEBI:24651] (5641)

organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

secondary alcohol [CHEBI:35681] (342)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

						carbon group molecular entity [CHEBI:33582] (23847)

							organic molecular entity [CHEBI:50860] (23769)

								organic fundamental parent [CHEBI:33245] (1178)

heterocyclic organic fundamental parent [CHEBI:35552] (537)

mancude organic heterocyclic parent [CHEBI:35571] (481)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organic mancude parent [CHEBI:35573] (488)

mancude organic heterocyclic parent [CHEBI:35571] (481)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								heteroorganic entity [CHEBI:33285] (15197)

organic heterocyclic compound [CHEBI:24532] (5243)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organonitrogen compound [CHEBI:35352] (6705)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organohalogen compound [CHEBI:36684] (976)

organofluorine compound [CHEBI:37143] (275)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								organic hydroxy compound [CHEBI:33822] (3050)

alcohol [CHEBI:30879] (1371)

secondary alcohol [CHEBI:35681] (342)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								organic molecule [CHEBI:72695] (11399)

									organic cyclic compound [CHEBI:33832] (7633)

organic heterocyclic compound [CHEBI:24532] (5243)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organic aromatic compound [CHEBI:33659] (3593)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

			mancude ring [CHEBI:35568] (488)

					organic mancude parent [CHEBI:35573] (488)

						mancude organic heterocyclic parent [CHEBI:35571] (481)

							mancude organic heteromonocyclic parent [CHEBI:35555] (392)

								azole [CHEBI:68452] (357)

									triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

			polyatomic entity [CHEBI:36357] (18777)

				molecule [CHEBI:25367] (11520)

						cyclic compound [CHEBI:33595] (7817)

								aromatic compound [CHEBI:33655] (3799)

organic aromatic compound [CHEBI:33659] (3593)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								monocyclic compound [CHEBI:33661] (2007)

heteromonocyclic compound [CHEBI:33670] (2004)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								organic cyclic compound [CHEBI:33832] (7633)

organic heterocyclic compound [CHEBI:24532] (5243)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organic aromatic compound [CHEBI:33659] (3593)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								heterocyclic compound [CHEBI:5686] (5275)

									organic heterocyclic compound [CHEBI:24532] (5243)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

									heteromonocyclic compound [CHEBI:33670] (2004)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

						organic molecule [CHEBI:72695] (11399)

							organic cyclic compound [CHEBI:33832] (7633)

								organic heterocyclic compound [CHEBI:24532] (5243)

organic heteromonocyclic compound [CHEBI:25693] (2004)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

organonitrogen heterocyclic compound [CHEBI:38101] (3202)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

								organic aromatic compound [CHEBI:33659] (3593)

									heteroarene [CHEBI:33833] (1648)

monocyclic heteroarene [CHEBI:38179] (375)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

				heteroatomic molecular entity [CHEBI:37577] (13672)

					hydroxides [CHEBI:24651] (5641)

							organic hydroxy compound [CHEBI:33822] (3050)

								alcohol [CHEBI:30879] (1371)

									secondary alcohol [CHEBI:35681] (342)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

					hydrides [CHEBI:33692] (1374)

							organic hydride [CHEBI:37175] (1178)

								organic fundamental parent [CHEBI:33245] (1178)

									heterocyclic organic fundamental parent [CHEBI:35552] (537)

mancude organic heterocyclic parent [CHEBI:35571] (481)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

									organic mancude parent [CHEBI:35573] (488)

mancude organic heterocyclic parent [CHEBI:35571] (481)

mancude organic heteromonocyclic parent [CHEBI:35555] (392)

azole [CHEBI:68452] (357)

triazoles [CHEBI:35727] (30)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

					halide [CHEBI:37578] (1402)

						organohalogen compound [CHEBI:36684] (976)

							organofluorine compound [CHEBI:37143] (275)

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile [CHEBI:42665] (1)

ChEBI Compound Accession Identifier:

[CHEBI:42665]

ChEBI Compound Description:

A triazole that is benzonitrile substituted by a (1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl group at position 4.

ChEBI Compound Identification Number:

42665

ChEBI InChI Value:

InChI=1S/C18H15FN4O/c19-16-7-3-13(4-8-16)9-17(24)18(23-12-21-11-22-23)15-5-1-14(10-20)2-6-15/h1-8,11-12,17-18,24H,9H2/t17-,18+/m1/s1

ChEBI InChIKey Value:

SLJZVZKQYSKYNV-MSOLQXFVSA-N

ChEBI Compound Name:

4-[(1S,2R)-3-(4-fluorophenyl)-2-hydroxy-1-(1,2,4-triazol-1-yl)propyl]benzonitrile

ChEBI SMILES Value:

O[C@H](Cc1ccc(F)cc1)[C@H](c1ccc(cc1)C#N)n1cncn1

ChEBI Substance ID:

93581346

ChEBI URL:

ChEBI:42665

ChemSpider ID:

Ontomatica Chemical Accession Key (OnChAKey):

SLJZVZKQYSKYNV_MSOLQXFVSA_N_000_000000

PubChem Compound ID:

5494421