1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol

C21H17FN4O — CID 14988717

IUPAC1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H17FN4O/c22-20-7-5-19(6-8-20)21(27,13-26-15-24-14-25-26)18-3-1-16(2-4-18)17-9-11-23-12-10-17/h1-12,14-15,27H,13H2
InChIKeyUAVUOLYCVZKKFU-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.42
Rot. Bonds5

About 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol

1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol (PubChem CID 14988717) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol
PubChem CID14988717
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol
SMILESOC(Cn1cncn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1
InChIInChI=1S/C21H17FN4O/c22-20-7-5-19(6-8-20)21(27,13-26-15-24-14-25-26)18-3-1-16(2-4-18)17-9-11-23-12-10-17/h1-12,14-15,27H,13H2
InChIKeyUAVUOLYCVZKKFU-UHFFFAOYSA-N
XLogP3.42
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Voriconazole
CID 71616
alpha-(2,4-Difluorophenyl)-5-fluoro-beta-methyl-alpha-(1H-1,2,4-triazol-1-ylmethyl)-4-pyrimidineethanol
CID 5231054
(3S)-2-(2,4-Difluorophenyl)-3-(5-fluoropyrimidin-4-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
CID 69155711
2-(2,4-Difluorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 44409786
2-(2,4-Difluorophenyl)-1,1-difluoro-3-(tetrazol-1-yl)-1-[5-[2-[4-(2,2,2-trifluoroethylamino)phenyl]ethynyl]-2-pyridinyl]propan-2-ol
CID 89619588
1-(4-Fluoro-phenyl)-2-imidazol-1-yl-1-(4-pyridin-4-yl-phenyl)-ethanol
CID 10361089
alpha-[4-(Trifluoromethyl)phenyl]-alpha-[4-(4-pyridinyl)phenyl]-1H-imidazole-1-ethanol
CID 14988699
1-[4-(hydroxymethyl)phenyl]-2-(1H-imidazol-1-yl)-1-[4-(pyridin-4-yl)phenyl]ethan-1-ol
CID 14988703
1-(2,4-Difluorophenyl)-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
CID 14988705
1-(4-Fluorophenyl)-2-imidazol-1-yl-1-(3-pyridin-4-ylphenyl)ethanol
CID 14988714
1-(5-Bromo-2-pyridyl)-2-(2,4-difluorophenyl)-1,1-difluoro-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 485888
2-(2,4-Difluorophenyl)-1,1-difluoro-1-pyrimidin-2-yl-3-(1,2,4-triazol-1-yl)propan-2-ol
CID 485890

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol?
The IUPAC name of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol (CID 14988717) is 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol.
What is the SMILES notation for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol?
The canonical SMILES for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol is OC(Cn1cncn1)(c1ccc(F)cc1)c1ccc(-c2ccncc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol?
The InChIKey is UAVUOLYCVZKKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c22-20-7-5-19(6-8-20)21(27,13-26-15-24-14-25-26)18-3-1-16(2-4-18)17-9-11-23-12-10-17/h1-12,14-15,27H,13H2.
What are the key properties of 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol?
1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol has a molecular weight of 360.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-1-(4-pyridin-4-ylphenyl)-2-(1,2,4-triazol-1-yl)ethanol is sourced from PubChem (CID 14988717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).