2-(4-methylphenyl)triazole

C9H9N3 — CID 18341000

IUPAC2-(4-methylphenyl)triazole
SMILESCc1ccc(-n2nccn2)cc1
InChIInChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-10-6-7-11-12/h2-7H,1H3
InChIKeyOKFHGHGGXMTTRQ-UHFFFAOYSA-N
MW159.19 g/mol
LogP1.58
Rot. Bonds1

About 2-(4-methylphenyl)triazole

2-(4-methylphenyl)triazole (PubChem CID 18341000) has the molecular formula C9H9N3 and a molecular weight of 159.19 g/mol. Its IUPAC name is 2-(4-methylphenyl)triazole.

Molecular Properties

Compound Name2-(4-methylphenyl)triazole
PubChem CID18341000
Molecular FormulaC9H9N3
Molecular Weight159.19 g/mol
Exact Mass159.08
IUPAC Name2-(4-methylphenyl)triazole
SMILESCc1ccc(-n2nccn2)cc1
InChIInChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-10-6-7-11-12/h2-7H,1H3
InChIKeyOKFHGHGGXMTTRQ-UHFFFAOYSA-N
XLogP1.58
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-methylphenyl)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 2-(4-methylphenyl)triazole?
The IUPAC name of 2-(4-methylphenyl)triazole (CID 18341000) is 2-(4-methylphenyl)triazole.
What is the SMILES notation for 2-(4-methylphenyl)triazole?
The canonical SMILES for 2-(4-methylphenyl)triazole is Cc1ccc(-n2nccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)triazole?
The InChIKey is OKFHGHGGXMTTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3/c1-8-2-4-9(5-3-8)12-10-6-7-11-12/h2-7H,1H3.
What are the key properties of 2-(4-methylphenyl)triazole?
2-(4-methylphenyl)triazole has a molecular weight of 159.19 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)triazole is sourced from PubChem (CID 18341000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).