5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole

C16H15N3O — CID 58856381

IUPAC5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
SMILESCOc1ccccc1-c1c(C)nnn1-c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-16(14-10-6-7-11-15(14)20-2)19(18-17-12)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyBPVSBKWKUCPKSG-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.25
Rot. Bonds3

About 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole

5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole (PubChem CID 58856381) has the molecular formula C16H15N3O and a molecular weight of 265.32 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
PubChem CID58856381
Molecular FormulaC16H15N3O
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole
SMILESCOc1ccccc1-c1c(C)nnn1-c1ccccc1
InChIInChI=1S/C16H15N3O/c1-12-16(14-10-6-7-11-15(14)20-2)19(18-17-12)13-8-4-3-5-9-13/h3-11H,1-2H3
InChIKeyBPVSBKWKUCPKSG-UHFFFAOYSA-N
XLogP3.25
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole 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-(2-methoxyphenyl)-4-methyl-1-phenyltriazole?
The IUPAC name of 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole (CID 58856381) is 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole.
What is the SMILES notation for 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole?
The canonical SMILES for 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole is COc1ccccc1-c1c(C)nnn1-c1ccccc1.
What is the InChIKey of 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole?
The InChIKey is BPVSBKWKUCPKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O/c1-12-16(14-10-6-7-11-15(14)20-2)19(18-17-12)13-8-4-3-5-9-13/h3-11H,1-2H3.
What are the key properties of 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole?
5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole has a molecular weight of 265.32 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-4-methyl-1-phenyltriazole is sourced from PubChem (CID 58856381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).