4-phenyl-5-thiophen-2-yl-2H-triazole

C12H9N3S — CID 91548128

IUPAC4-phenyl-5-thiophen-2-yl-2H-triazole
SMILESc1ccc(-c2n[nH]nc2-c2cccs2)cc1
InChIInChI=1S/C12H9N3S/c1-2-5-9(6-3-1)11-12(14-15-13-11)10-7-4-8-16-10/h1-8H,(H,13,14,15)
InChIKeyQUSRWMWIUZLESZ-UHFFFAOYSA-N
MW227.29 g/mol
LogP3.20
Rot. Bonds2

About 4-phenyl-5-thiophen-2-yl-2H-triazole

4-phenyl-5-thiophen-2-yl-2H-triazole (PubChem CID 91548128) has the molecular formula C12H9N3S and a molecular weight of 227.29 g/mol. Its IUPAC name is 4-phenyl-5-thiophen-2-yl-2H-triazole.

Molecular Properties

Compound Name4-phenyl-5-thiophen-2-yl-2H-triazole
PubChem CID91548128
Molecular FormulaC12H9N3S
Molecular Weight227.29 g/mol
Exact Mass227.05
IUPAC Name4-phenyl-5-thiophen-2-yl-2H-triazole
SMILESc1ccc(-c2n[nH]nc2-c2cccs2)cc1
InChIInChI=1S/C12H9N3S/c1-2-5-9(6-3-1)11-12(14-15-13-11)10-7-4-8-16-10/h1-8H,(H,13,14,15)
InChIKeyQUSRWMWIUZLESZ-UHFFFAOYSA-N
XLogP3.20
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-phenyl-5-thiophen-2-yl-2H-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 4-phenyl-5-thiophen-2-yl-2H-triazole?
The IUPAC name of 4-phenyl-5-thiophen-2-yl-2H-triazole (CID 91548128) is 4-phenyl-5-thiophen-2-yl-2H-triazole.
What is the SMILES notation for 4-phenyl-5-thiophen-2-yl-2H-triazole?
The canonical SMILES for 4-phenyl-5-thiophen-2-yl-2H-triazole is c1ccc(-c2n[nH]nc2-c2cccs2)cc1.
What is the InChIKey of 4-phenyl-5-thiophen-2-yl-2H-triazole?
The InChIKey is QUSRWMWIUZLESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3S/c1-2-5-9(6-3-1)11-12(14-15-13-11)10-7-4-8-16-10/h1-8H,(H,13,14,15).
What are the key properties of 4-phenyl-5-thiophen-2-yl-2H-triazole?
4-phenyl-5-thiophen-2-yl-2H-triazole has a molecular weight of 227.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-5-thiophen-2-yl-2H-triazole is sourced from PubChem (CID 91548128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).