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

C11H7N5O2S — CID 62849134

IUPAC3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1nnc2ccccn12
InChIInChI=1S/C11H7N5O2S/c17-10(18)8-9(13-5-4-12-8)19-11-15-14-7-3-1-2-6-16(7)11/h1-6H,(H,17,18)
InChIKeyOALLAJHFNIHWOC-UHFFFAOYSA-N
MW273.28 g/mol
LogP1.37
Rot. Bonds3

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

3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid (PubChem CID 62849134) has the molecular formula C11H7N5O2S and a molecular weight of 273.28 g/mol. Its IUPAC name is 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid
PubChem CID62849134
Molecular FormulaC11H7N5O2S
Molecular Weight273.28 g/mol
Exact Mass273.03
IUPAC Name3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1Sc1nnc2ccccn12
InChIInChI=1S/C11H7N5O2S/c17-10(18)8-9(13-5-4-12-8)19-11-15-14-7-3-1-2-6-16(7)11/h1-6H,(H,17,18)
InChIKeyOALLAJHFNIHWOC-UHFFFAOYSA-N
XLogP1.37
TPSA93.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.28
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chloropyrazin-2-yl)sulfanyl-[1,2,4]triazolo[4,3-a]pyridine
CID 55126639
6-methyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-3-carboxylic acid
CID 62848956
3-phenylsulfanylpyrazine-2-carboxylic acid
CID 12556842
3-[(3,5-dibromo-2-pyridinyl)sulfanyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 113413907
3-chloro-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyridine-4-carboximidamide
CID 107060954
1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)phenyl]ethanone
CID 55023570
2-amino-3-fluoro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)benzoic acid
CID 83207534
2-chloro-4-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)quinazoline
CID 62849821
CID 175937217
CID 175937217
[2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-5-yl]methanol
CID 113388746
5-nitro-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrimidin-4-amine
CID 112724176
1-(4-phenylphenyl)-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)ethanone
CID 972377

Frequently Asked Questions

What is the IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid (CID 62849134) is 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1Sc1nnc2ccccn12.
What is the InChIKey of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid?
The InChIKey is OALLAJHFNIHWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N5O2S/c17-10(18)8-9(13-5-4-12-8)19-11-15-14-7-3-1-2-6-16(7)11/h1-6H,(H,17,18).
What are the key properties of 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid?
3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid has a molecular weight of 273.28 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62849134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).