2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine

C15H14N4 — CID 71552175

IUPAC2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
SMILESCc1ccc(-c2cn(-c3cccc(C)n3)nn2)cc1
InChIInChI=1S/C15H14N4/c1-11-6-8-13(9-7-11)14-10-19(18-17-14)15-5-3-4-12(2)16-15/h3-10H,1-2H3
InChIKeyPRMSOKJLVYVYMG-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.95
Rot. Bonds2

About 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine

2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine (PubChem CID 71552175) has the molecular formula C15H14N4 and a molecular weight of 250.31 g/mol. Its IUPAC name is 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine.

Molecular Properties

Compound Name2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
PubChem CID71552175
Molecular FormulaC15H14N4
Molecular Weight250.31 g/mol
Exact Mass250.12
IUPAC Name2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine
SMILESCc1ccc(-c2cn(-c3cccc(C)n3)nn2)cc1
InChIInChI=1S/C15H14N4/c1-11-6-8-13(9-7-11)14-10-19(18-17-14)15-5-3-4-12(2)16-15/h3-10H,1-2H3
InChIKeyPRMSOKJLVYVYMG-UHFFFAOYSA-N
XLogP2.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine 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-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine?
The IUPAC name of 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine (CID 71552175) is 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine.
What is the SMILES notation for 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine?
The canonical SMILES for 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine is Cc1ccc(-c2cn(-c3cccc(C)n3)nn2)cc1.
What is the InChIKey of 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine?
The InChIKey is PRMSOKJLVYVYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4/c1-11-6-8-13(9-7-11)14-10-19(18-17-14)15-5-3-4-12(2)16-15/h3-10H,1-2H3.
What are the key properties of 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine?
2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine has a molecular weight of 250.31 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[4-(4-methylphenyl)triazol-1-yl]pyridine is sourced from PubChem (CID 71552175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).