methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C15H13N3O2 — CID 117130742

IUPACmethyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(C)c3)nn2c1
InChIInChI=1S/C15H13N3O2/c1-10-4-3-5-11(8-10)14-16-13-7-6-12(15(19)20-2)9-18(13)17-14/h3-9H,1-2H3
InChIKeyMQDIUPHBQRBUBA-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.49
Rot. Bonds2

About methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 117130742) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID117130742
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Namemethyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(-c3cccc(C)c3)nn2c1
InChIInChI=1S/C15H13N3O2/c1-10-4-3-5-11(8-10)14-16-13-7-6-12(15(19)20-2)9-18(13)17-14/h3-9H,1-2H3
InChIKeyMQDIUPHBQRBUBA-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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Related Compounds

methyl 2-(3,5-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567251
methyl 2-(4-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567225
methyl 2-(5-bromo-3-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567260
2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 82389030
methyl 2-(3-bromo-5-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 82567266
methyl 2-chloro-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 130871543
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566380
2-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylic acid
CID 117130740
methyl 2-[(4-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117130631
7-methyl-2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
CID 83965839
3-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)phenol
CID 82566326
3-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 82566376

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 117130742) is methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(-c3cccc(C)c3)nn2c1.
What is the InChIKey of methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is MQDIUPHBQRBUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c1-10-4-3-5-11(8-10)14-16-13-7-6-12(15(19)20-2)9-18(13)17-14/h3-9H,1-2H3.
What are the key properties of methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-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 2-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117130742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).