2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid

C13H10N4O2S — CID 61301448

IUPAC2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1cc(Sc2cc(C(=O)O)ccn2)n2ncnc2c1
InChIInChI=1S/C13H10N4O2S/c1-8-4-10-15-7-16-17(10)12(5-8)20-11-6-9(13(18)19)2-3-14-11/h2-7H,1H3,(H,18,19)
InChIKeyLXWPQLSTOGBULM-UHFFFAOYSA-N
MW286.32 g/mol
LogP2.28
Rot. Bonds3

About 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid

2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid (PubChem CID 61301448) has the molecular formula C13H10N4O2S and a molecular weight of 286.32 g/mol. Its IUPAC name is 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid
PubChem CID61301448
Molecular FormulaC13H10N4O2S
Molecular Weight286.32 g/mol
Exact Mass286.05
IUPAC Name2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid
SMILESCc1cc(Sc2cc(C(=O)O)ccn2)n2ncnc2c1
InChIInChI=1S/C13H10N4O2S/c1-8-4-10-15-7-16-17(10)12(5-8)20-11-6-9(13(18)19)2-3-14-11/h2-7H,1H3,(H,18,19)
InChIKeyLXWPQLSTOGBULM-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

2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726288
2-(6-methylsulfanylpyrimidin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 106972467
2-imidazo[1,2-a]pyridin-5-ylsulfanylpyridine-4-carboxylic acid
CID 102625220
3-[[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)amino]methyl]benzoic acid
CID 60893887
2-(2-methylfuran-3-yl)sulfanylpyridine-4-carboxylic acid
CID 107779261
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyridine-4-carboxylic acid
CID 60726439
2-[(2,4-dimethyl-3,5-dioxo-1,2,4-triazin-6-yl)sulfanyl]pyridine-4-carboxylic acid
CID 61301283
2-[(2,5-dimethylphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61482179
2-(1-methylimidazo[4,5-c]pyridin-4-yl)sulfanylpyridine-4-carboxylic acid
CID 103385259
2-(trifluoromethylsulfanyl)pyridine-4-carboxylic acid
CID 61301083
2-(6-chloropyridazin-3-yl)sulfanylpyridine-4-carboxylic acid
CID 61299738
2-[4-(trifluoromethyl)phenyl]sulfanylpyridine-4-carboxylic acid
CID 62648248

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid (CID 61301448) is 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid is Cc1cc(Sc2cc(C(=O)O)ccn2)n2ncnc2c1.
What is the InChIKey of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid?
The InChIKey is LXWPQLSTOGBULM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2S/c1-8-4-10-15-7-16-17(10)12(5-8)20-11-6-9(13(18)19)2-3-14-11/h2-7H,1H3,(H,18,19).
What are the key properties of 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid?
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-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 2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-yl)sulfanyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 61301448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).