[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

C15H11F2N3O — CID 115395862

IUPAC[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(-c2ccc(F)c(F)c2)n1-c1ccccc1
InChIInChI=1S/C15H11F2N3O/c16-12-7-6-10(8-13(12)17)15-19-18-14(9-21)20(15)11-4-2-1-3-5-11/h1-8,21H,9H2
InChIKeyIXCOIGZHGBDWRS-UHFFFAOYSA-N
MW287.27 g/mol
LogP2.70
Rot. Bonds3

About [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol

[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395862) has the molecular formula C15H11F2N3O and a molecular weight of 287.27 g/mol. Its IUPAC name is [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395862
Molecular FormulaC15H11F2N3O
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(-c2ccc(F)c(F)c2)n1-c1ccccc1
InChIInChI=1S/C15H11F2N3O/c16-12-7-6-10(8-13(12)17)15-19-18-14(9-21)20(15)11-4-2-1-3-5-11/h1-8,21H,9H2
InChIKeyIXCOIGZHGBDWRS-UHFFFAOYSA-N
XLogP2.70
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395824
3-(chloromethyl)-5-(4-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 83968302
[5-(3-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943885
[5-(2,4-dimethylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395828
3-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115393413
3-(bromomethyl)-5-(3,4-dichlorophenyl)-4-phenyl-1,2,4-triazole
CID 115398710
[5-(3-chloro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943875
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395859
3-(3-bromo-5-fluorophenyl)-5-(bromomethyl)-4-phenyl-1,2,4-triazole
CID 115398787
3-(bromomethyl)-5-(2,6-difluorophenyl)-4-phenyl-1,2,4-triazole
CID 115398734
[5-(2,6-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanamine
CID 115943829

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395862) is [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is OCc1nnc(-c2ccc(F)c(F)c2)n1-c1ccccc1.
What is the InChIKey of [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is IXCOIGZHGBDWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O/c16-12-7-6-10(8-13(12)17)15-19-18-14(9-21)20(15)11-4-2-1-3-5-11/h1-8,21H,9H2.
What are the key properties of [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 287.27 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).