5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole

C13H10FN3S — CID 55090567

IUPAC5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESFc1ccc(Cc2nc(-c3cccs3)n[nH]2)cc1
InChIInChI=1S/C13H10FN3S/c14-10-5-3-9(4-6-10)8-12-15-13(17-16-12)11-2-1-7-18-11/h1-7H,8H2,(H,15,16,17)
InChIKeyFRUDFSHZGAKQPA-UHFFFAOYSA-N
MW259.31 g/mol
LogP3.26
Rot. Bonds3

About 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole

5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole (PubChem CID 55090567) has the molecular formula C13H10FN3S and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
PubChem CID55090567
Molecular FormulaC13H10FN3S
Molecular Weight259.31 g/mol
Exact Mass259.06
IUPAC Name5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole
SMILESFc1ccc(Cc2nc(-c3cccs3)n[nH]2)cc1
InChIInChI=1S/C13H10FN3S/c14-10-5-3-9(4-6-10)8-12-15-13(17-16-12)11-2-1-7-18-11/h1-7H,8H2,(H,15,16,17)
InChIKeyFRUDFSHZGAKQPA-UHFFFAOYSA-N
XLogP3.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-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 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
The IUPAC name of 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole (CID 55090567) is 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole.
What is the SMILES notation for 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
The canonical SMILES for 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole is Fc1ccc(Cc2nc(-c3cccs3)n[nH]2)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
The InChIKey is FRUDFSHZGAKQPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3S/c14-10-5-3-9(4-6-10)8-12-15-13(17-16-12)11-2-1-7-18-11/h1-7H,8H2,(H,15,16,17).
What are the key properties of 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole?
5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole has a molecular weight of 259.31 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methyl]-3-thiophen-2-yl-1H-1,2,4-triazole is sourced from PubChem (CID 55090567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).