3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid

C14H11N3O2 — CID 117127903

IUPAC3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCc1cccn2nc(-c3cccc(C(=O)O)c3)nc12
InChIInChI=1S/C14H11N3O2/c1-9-4-3-7-17-13(9)15-12(16-17)10-5-2-6-11(8-10)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyDCMKXZIWMHHWSJ-UHFFFAOYSA-N
MW253.26 g/mol
LogP2.40
Rot. Bonds2

About 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid

3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (PubChem CID 117127903) has the molecular formula C14H11N3O2 and a molecular weight of 253.26 g/mol. Its IUPAC name is 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
PubChem CID117127903
Molecular FormulaC14H11N3O2
Molecular Weight253.26 g/mol
Exact Mass253.09
IUPAC Name3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid
SMILESCc1cccn2nc(-c3cccc(C(=O)O)c3)nc12
InChIInChI=1S/C14H11N3O2/c1-9-4-3-7-17-13(9)15-12(16-17)10-5-2-6-11(8-10)14(18)19/h2-8H,1H3,(H,18,19)
InChIKeyDCMKXZIWMHHWSJ-UHFFFAOYSA-N
XLogP2.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-isocyanophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 155635456
2-(3,4-dichlorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566300
2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82566733
2-phenyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565550
2-(3-bromo-5-fluorophenyl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566311
2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 82565551
2-(3-iodo-1-methylindol-5-yl)-8-methyl-[1,2,4]triazolo[1,5-a]pyridine
CID 137376192
3-(2,6-dimethyl-4-pyridinyl)benzoic acid
CID 22317581
4-methylpyrazolo[1,5-a]pyridine-2-carboxylic acid
CID 83816614
methyl 2-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 82566978
3-[4-methyl-6-(4-methylphenyl)pyrimidin-2-yl]benzoic acid
CID 121285161
3-(6-bromo-3-methyl-2-pyridinyl)benzoic acid
CID 131988791

Frequently Asked Questions

What is the IUPAC name of 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The IUPAC name of 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid (CID 117127903) is 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid.
What is the SMILES notation for 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The canonical SMILES for 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is Cc1cccn2nc(-c3cccc(C(=O)O)c3)nc12.
What is the InChIKey of 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
The InChIKey is DCMKXZIWMHHWSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2/c1-9-4-3-7-17-13(9)15-12(16-17)10-5-2-6-11(8-10)14(18)19/h2-8H,1H3,(H,18,19).
What are the key properties of 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid?
3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid has a molecular weight of 253.26 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)benzoic acid is sourced from PubChem (CID 117127903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).