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

C15H13N3O2 — CID 115384822

IUPACmethyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(-c3ccccc3C)n2c1
InChIInChI=1S/C15H13N3O2/c1-10-5-3-4-6-12(10)14-17-16-13-8-7-11(9-18(13)14)15(19)20-2/h3-9H,1-2H3
InChIKeyCGVISPBZIJUHGA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds2

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

methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 115384822) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID115384822
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(-c3ccccc3C)n2c1
InChIInChI=1S/C15H13N3O2/c1-10-5-3-4-6-12(10)14-17-16-13-8-7-11(9-18(13)14)15(19)20-2/h3-9H,1-2H3
InChIKeyCGVISPBZIJUHGA-UHFFFAOYSA-N
XLogP2.49
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 115384822) is methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(-c3ccccc3C)n2c1.
What is the InChIKey of methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is CGVISPBZIJUHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-5-3-4-6-12(10)14-17-16-13-8-7-11(9-18(13)14)15(19)20-2/h3-9H,1-2H3.
What are the key properties of methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 267.29 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 115384822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).