1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole

C15H12FN3 — CID 23585776

IUPAC1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
SMILESFc1ccc(-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C15H12FN3/c16-15-6-4-13(5-7-15)14-3-1-2-12(8-14)9-19-11-17-10-18-19/h1-8,10-11H,9H2
InChIKeyFOKTYARENCOIJF-UHFFFAOYSA-N
MW253.28 g/mol
LogP3.13
Rot. Bonds3

About 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole

1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole (PubChem CID 23585776) has the molecular formula C15H12FN3 and a molecular weight of 253.28 g/mol. Its IUPAC name is 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
PubChem CID23585776
Molecular FormulaC15H12FN3
Molecular Weight253.28 g/mol
Exact Mass253.10
IUPAC Name1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole
SMILESFc1ccc(-c2cccc(Cn3cncn3)c2)cc1
InChIInChI=1S/C15H12FN3/c16-15-6-4-13(5-7-15)14-3-1-2-12(8-14)9-19-11-17-10-18-19/h1-8,10-11H,9H2
InChIKeyFOKTYARENCOIJF-UHFFFAOYSA-N
XLogP3.13
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole?
The IUPAC name of 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole (CID 23585776) is 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole.
What is the SMILES notation for 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole?
The canonical SMILES for 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole is Fc1ccc(-c2cccc(Cn3cncn3)c2)cc1.
What is the InChIKey of 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole?
The InChIKey is FOKTYARENCOIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FN3/c16-15-6-4-13(5-7-15)14-3-1-2-12(8-14)9-19-11-17-10-18-19/h1-8,10-11H,9H2.
What are the key properties of 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole?
1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole has a molecular weight of 253.28 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-fluorophenyl)phenyl]methyl]-1,2,4-triazole is sourced from PubChem (CID 23585776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).