(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol

C15H14N4O — CID 40634096

IUPAC(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@@](Cn1cncn1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H14N4O/c20-15(10-19-12-17-11-18-19,13-4-2-1-3-5-13)14-6-8-16-9-7-14/h1-9,11-12,20H,10H2/t15-/m0/s1
InChIKeySAQITQKFZDMEHL-HNNXBMFYSA-N
MW266.30 g/mol
LogP1.61
Rot. Bonds4

About (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol

(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 40634096) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID40634096
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol
SMILESO[C@@](Cn1cncn1)(c1ccccc1)c1ccncc1
InChIInChI=1S/C15H14N4O/c20-15(10-19-12-17-11-18-19,13-4-2-1-3-5-13)14-6-8-16-9-7-14/h1-9,11-12,20H,10H2/t15-/m0/s1
InChIKeySAQITQKFZDMEHL-HNNXBMFYSA-N
XLogP1.61
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chlorophenyl)-1-phenyl-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782950
1,1-bis(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782945
2-phenyl-1-(1,2,4-triazol-1-yl)hexan-2-ol
CID 13236903
4-[1-(4-cyanophenyl)-1-hydroxy-2-(1,2,4-triazol-1-yl)ethyl]benzonitrile
CID 71301072
(1S)-1-(4-chlorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol
CID 7100274
1,1-dimethoxy-2-phenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 13491628
1-fluoro-1,2-diphenyl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 150440123
(1S)-1-phenyl-1,2-dipyridin-4-ylethanol
CID 26793169
(E,2S)-4-(4-chlorophenyl)-2-pyridin-4-yl-1-(1,2,4-triazol-1-yl)but-3-en-2-ol
CID 40634106
1,2-diphenyl-1-pyridin-4-ylethanol;hydrochloride
CID 21149832
1-(3-chlorophenyl)-1-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanol;hydrochloride
CID 12782961
1-(1,2,4-triazol-1-yl)-2-[4-(trifluoromethyl)phenyl]butane-2,3-diol
CID 15197548

Frequently Asked Questions

What is the IUPAC name of (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol (CID 40634096) is (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol is O[C@@](Cn1cncn1)(c1ccccc1)c1ccncc1.
What is the InChIKey of (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is SAQITQKFZDMEHL-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H14N4O/c20-15(10-19-12-17-11-18-19,13-4-2-1-3-5-13)14-6-8-16-9-7-14/h1-9,11-12,20H,10H2/t15-/m0/s1.
What are the key properties of (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol?
(1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 266.30 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-phenyl-1-pyridin-4-yl-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 40634096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).