6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid

C13H10N4O2S — CID 62848956

IUPAC6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Sc2nnc3ccccn23)n1
InChIInChI=1S/C13H10N4O2S/c1-8-5-6-9(12(18)19)11(14-8)20-13-16-15-10-4-2-3-7-17(10)13/h2-7H,1H3,(H,18,19)
InChIKeySJSYUQAXCBAACW-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.28
Rot. Bonds3

About 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid

6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid (PubChem CID 62848956) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid
PubChem CID62848956
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(Sc2nnc3ccccn23)n1
InChIInChI=1S/C13H10N4O2S/c1-8-5-6-9(12(18)19)11(14-8)20-13-16-15-10-4-2-3-7-17(10)13/h2-7H,1H3,(H,18,19)
InChIKeySJSYUQAXCBAACW-UHFFFAOYSA-N
XLogP2.28
TPSA80.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid
CID 62849134
4,6-dimethyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carbonitrile
CID 17469534
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 55023570
6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62701272
6-methyl-2-pyridin-2-ylsulfanylpyridine-3-carboxylic acid
CID 62702619
2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline
CID 62849821
1-(2,4-dimethylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 2081257
2-(carboxymethylsulfanyl)-6-methylpyridine-3-carboxylic acid
CID 15732980
3-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 80970201
1-[5-fluoro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 60678710
2-amino-3-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
CID 83207534
3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid (CID 62848956) is 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(Sc2nnc3ccccn23)n1.
What is the InChIKey of 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid?
The InChIKey is SJSYUQAXCBAACW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-8-5-6-9(12(18)19)11(14-8)20-13-16-15-10-4-2-3-7-17(10)13/h2-7H,1H3,(H,18,19).
What are the key properties of 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid?
6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid has a molecular weight of 286.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 62848956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).