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

C16H14FN3O — CID 115395859

IUPAC[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(Cc2ccc(F)cc2)n1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)10-15-18-19-16(11-21)20(15)14-4-2-1-3-5-14/h1-9,21H,10-11H2
InChIKeyDGXFVFVLFUSUPW-UHFFFAOYSA-N
MW283.31 g/mol
LogP2.49
Rot. Bonds4

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

[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol (PubChem CID 115395859) has the molecular formula C16H14FN3O and a molecular weight of 283.31 g/mol. Its IUPAC name is [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
PubChem CID115395859
Molecular FormulaC16H14FN3O
Molecular Weight283.31 g/mol
Exact Mass283.11
IUPAC Name[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol
SMILESOCc1nnc(Cc2ccc(F)cc2)n1-c1ccccc1
InChIInChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)10-15-18-19-16(11-21)20(15)14-4-2-1-3-5-14/h1-9,21H,10-11H2
InChIKeyDGXFVFVLFUSUPW-UHFFFAOYSA-N
XLogP2.49
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-fluorophenyl)methyl]-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

4-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
CID 45473526
2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetonitrile
CID 7257152
[5-(3-methylbutyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395785
(2S)-2-[[5-benzyl-4-(4-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7257150
3-benzyl-4-(4-fluorophenyl)-5-[(2-fluorophenyl)methylsulfanyl]-1,2,4-triazole
CID 126112275
1-[(5-benzyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-3-(4-fluorophenoxy)propan-2-ol
CID 24606667
[5-(3,4-difluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395862
4-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)methyl]aniline
CID 61360359
[5-(cyclohexylmethyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395849
3-benzyl-4-(4-fluorophenyl)-5-(2-phenoxyethylsulfanyl)-1,2,4-triazole
CID 4053779
[5-(3-fluoro-4-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]methanol
CID 115395836
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349

Frequently Asked Questions

What is the IUPAC name of [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol?
The IUPAC name of [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol (CID 115395859) is [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol.
What is the SMILES notation for [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol?
The canonical SMILES for [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol is OCc1nnc(Cc2ccc(F)cc2)n1-c1ccccc1.
What is the InChIKey of [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol?
The InChIKey is DGXFVFVLFUSUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O/c17-13-8-6-12(7-9-13)10-15-18-19-16(11-21)20(15)14-4-2-1-3-5-14/h1-9,21H,10-11H2.
What are the key properties of [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol?
[5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol has a molecular weight of 283.31 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-fluorophenyl)methyl]-4-phenyl-1,2,4-triazol-3-yl]methanol is sourced from PubChem (CID 115395859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).