1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile

C15H15FN4O — CID 19010587

IUPAC1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(O)(Cc2ccccc2F)Cn2cncn2)CC1
InChIInChI=1S/C15H15FN4O/c16-13-4-2-1-3-12(13)7-15(21,14(8-17)5-6-14)9-20-11-18-10-19-20/h1-4,10-11,21H,5-7,9H2
InChIKeyHXZOFRCUMYGBPV-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.69
Rot. Bonds5

About 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile

1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile (PubChem CID 19010587) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile
PubChem CID19010587
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile
SMILESN#CC1(C(O)(Cc2ccccc2F)Cn2cncn2)CC1
InChIInChI=1S/C15H15FN4O/c16-13-4-2-1-3-12(13)7-15(21,14(8-17)5-6-14)9-20-11-18-10-19-20/h1-4,10-11,21H,5-7,9H2
InChIKeyHXZOFRCUMYGBPV-UHFFFAOYSA-N
XLogP1.69
TPSA74.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-2-(1-methylcyclohexyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 19811975
1-(3-chloropyridazin-4-yl)-2-(1-methylcyclopropyl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 121254759
(2R,3R)-3-amino-2-(2-fluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 10658310
1-(2-chlorophenyl)-2-cyclopropyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 163284355
1-[2-(2-fluorophenyl)-2-(4-fluorophenyl)propyl]-1,2,4-triazole
CID 123171054
4-(3-bromo-4-fluorophenyl)-2-(1-chlorocyclopropyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 66894486
2-(1-chlorocyclopropyl)-1-(1,2,4-triazol-1-yl)pent-4-yn-2-ol
CID 15022048
N-cyclopropyl-2,2-difluoro-3-(2-fluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butanamide
CID 18955395
1-(4-chlorophenyl)-1-(1-phenylcyclopropyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 68954467
3-[3-(2,3-difluorophenyl)-2-hydroxy-2-(1-methylcyclopropyl)propyl]imidazole-4-carbonitrile
CID 139329577
4-[1-(4-cyanophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile
CID 71301072
2-(2-fluorophenyl)-3-(triazol-1-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 18986656

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile (CID 19010587) is 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile is N#CC1(C(O)(Cc2ccccc2F)Cn2cncn2)CC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile?
The InChIKey is HXZOFRCUMYGBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-4-2-1-3-12(13)7-15(21,14(8-17)5-6-14)9-20-11-18-10-19-20/h1-4,10-11,21H,5-7,9H2.
What are the key properties of 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile?
1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile has a molecular weight of 286.31 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)-2-hydroxy-3-(1,2,4-triazol-1-yl)propan-2-yl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 19010587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).