2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole

C17H13N3O — CID 124926980

IUPAC2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole
SMILESCc1nn(-c2ccc3ccoc3c2)nc1-c1ccccc1
InChIInChI=1S/C17H13N3O/c1-12-17(14-5-3-2-4-6-14)19-20(18-12)15-8-7-13-9-10-21-16(13)11-15/h2-11H,1H3
InChIKeyNBGZAOPDSZGORI-UHFFFAOYSA-N
MW275.31 g/mol
LogP3.99
Rot. Bonds2

About 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole

2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole (PubChem CID 124926980) has the molecular formula C17H13N3O and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole.

Molecular Properties

Compound Name2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole
PubChem CID124926980
Molecular FormulaC17H13N3O
Molecular Weight275.31 g/mol
Exact Mass275.11
IUPAC Name2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole
SMILESCc1nn(-c2ccc3ccoc3c2)nc1-c1ccccc1
InChIInChI=1S/C17H13N3O/c1-12-17(14-5-3-2-4-6-14)19-20(18-12)15-8-7-13-9-10-21-16(13)11-15/h2-11H,1H3
InChIKeyNBGZAOPDSZGORI-UHFFFAOYSA-N
XLogP3.99
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(1-benzofuran-6-yl)-4-methyl-5-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 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole?
The IUPAC name of 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole (CID 124926980) is 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole.
What is the SMILES notation for 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole?
The canonical SMILES for 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole is Cc1nn(-c2ccc3ccoc3c2)nc1-c1ccccc1.
What is the InChIKey of 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole?
The InChIKey is NBGZAOPDSZGORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3O/c1-12-17(14-5-3-2-4-6-14)19-20(18-12)15-8-7-13-9-10-21-16(13)11-15/h2-11H,1H3.
What are the key properties of 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole?
2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole has a molecular weight of 275.31 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-6-yl)-4-methyl-5-phenyltriazole is sourced from PubChem (CID 124926980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).