2-(2-methoxy-4-methylphenyl)triazole

C10H11N3O — CID 174665520

IUPAC2-(2-methoxy-4-methylphenyl)triazole
SMILESCOc1cc(C)ccc1-n1nccn1
InChIInChI=1S/C10H11N3O/c1-8-3-4-9(10(7-8)14-2)13-11-5-6-12-13/h3-7H,1-2H3
InChIKeyNPMAQKIZRQKJHB-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.58
Rot. Bonds2

About 2-(2-methoxy-4-methylphenyl)triazole

2-(2-methoxy-4-methylphenyl)triazole (PubChem CID 174665520) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 2-(2-methoxy-4-methylphenyl)triazole.

Molecular Properties

Compound Name2-(2-methoxy-4-methylphenyl)triazole
PubChem CID174665520
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name2-(2-methoxy-4-methylphenyl)triazole
SMILESCOc1cc(C)ccc1-n1nccn1
InChIInChI=1S/C10H11N3O/c1-8-3-4-9(10(7-8)14-2)13-11-5-6-12-13/h3-7H,1-2H3
InChIKeyNPMAQKIZRQKJHB-UHFFFAOYSA-N
XLogP1.58
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-methoxy-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-(2-methoxy-4-methylphenyl)triazole?
The IUPAC name of 2-(2-methoxy-4-methylphenyl)triazole (CID 174665520) is 2-(2-methoxy-4-methylphenyl)triazole.
What is the SMILES notation for 2-(2-methoxy-4-methylphenyl)triazole?
The canonical SMILES for 2-(2-methoxy-4-methylphenyl)triazole is COc1cc(C)ccc1-n1nccn1.
What is the InChIKey of 2-(2-methoxy-4-methylphenyl)triazole?
The InChIKey is NPMAQKIZRQKJHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-8-3-4-9(10(7-8)14-2)13-11-5-6-12-13/h3-7H,1-2H3.
What are the key properties of 2-(2-methoxy-4-methylphenyl)triazole?
2-(2-methoxy-4-methylphenyl)triazole has a molecular weight of 189.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-4-methylphenyl)triazole is sourced from PubChem (CID 174665520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).