N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine

C14H11FN4 — CID 155814137

IUPACN-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine
SMILESFc1ccc(Nc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11FN4/c15-11-6-8-12(9-7-11)16-14-17-13(18-19-14)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
InChIKeyVWFORVZPHIKJLO-UHFFFAOYSA-N
MW254.27 g/mol
LogP3.35
Rot. Bonds3

About N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine

N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine (PubChem CID 155814137) has the molecular formula C14H11FN4 and a molecular weight of 254.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine
PubChem CID155814137
Molecular FormulaC14H11FN4
Molecular Weight254.27 g/mol
Exact Mass254.10
IUPAC NameN-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine
SMILESFc1ccc(Nc2n[nH]c(-c3ccccc3)n2)cc1
InChIInChI=1S/C14H11FN4/c15-11-6-8-12(9-7-11)16-14-17-13(18-19-14)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19)
InChIKeyVWFORVZPHIKJLO-UHFFFAOYSA-N
XLogP3.35
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine 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 N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine (CID 155814137) is N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine is Fc1ccc(Nc2n[nH]c(-c3ccccc3)n2)cc1.
What is the InChIKey of N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
The InChIKey is VWFORVZPHIKJLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4/c15-11-6-8-12(9-7-11)16-14-17-13(18-19-14)10-4-2-1-3-5-10/h1-9H,(H2,16,17,18,19).
What are the key properties of N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine?
N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine has a molecular weight of 254.27 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-5-phenyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 155814137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).