6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

C14H13N3 — CID 117139828

IUPAC6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(-c3ccccc3C)n2c1
InChIInChI=1S/C14H13N3/c1-10-7-8-13-15-16-14(17(13)9-10)12-6-4-3-5-11(12)2/h3-9H,1-2H3
InChIKeyJSRYXAUMOOSSKG-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.01
Rot. Bonds1

About 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine

6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139828) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139828
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCc1ccc2nnc(-c3ccccc3C)n2c1
InChIInChI=1S/C14H13N3/c1-10-7-8-13-15-16-14(17(13)9-10)12-6-4-3-5-11(12)2/h3-9H,1-2H3
InChIKeyJSRYXAUMOOSSKG-UHFFFAOYSA-N
XLogP3.01
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139828) is 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is Cc1ccc2nnc(-c3ccccc3C)n2c1.
What is the InChIKey of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is JSRYXAUMOOSSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10-7-8-13-15-16-14(17(13)9-10)12-6-4-3-5-11(12)2/h3-9H,1-2H3.
What are the key properties of 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 223.28 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).