5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid

C13H11N3O4S — CID 63943173

IUPAC5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(SCCn2nc3ccccn3c2=O)o1
InChIInChI=1S/C13H11N3O4S/c17-12(18)9-4-5-11(20-9)21-8-7-16-13(19)15-6-2-1-3-10(15)14-16/h1-6H,7-8H2,(H,17,18)
InChIKeySOXZMUFPHVFXCH-UHFFFAOYSA-N
MW305.31 g/mol
LogP1.58
Rot. Bonds5

About 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid

5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid (PubChem CID 63943173) has the molecular formula C13H11N3O4S and a molecular weight of 305.31 g/mol. Its IUPAC name is 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid
PubChem CID63943173
Molecular FormulaC13H11N3O4S
Molecular Weight305.31 g/mol
Exact Mass305.05
IUPAC Name5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(SCCn2nc3ccccn3c2=O)o1
InChIInChI=1S/C13H11N3O4S/c17-12(18)9-4-5-11(20-9)21-8-7-16-13(19)15-6-2-1-3-10(15)14-16/h1-6H,7-8H2,(H,17,18)
InChIKeySOXZMUFPHVFXCH-UHFFFAOYSA-N
XLogP1.58
TPSA89.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid (CID 63943173) is 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid is O=C(O)c1ccc(SCCn2nc3ccccn3c2=O)o1.
What is the InChIKey of 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid?
The InChIKey is SOXZMUFPHVFXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S/c17-12(18)9-4-5-11(20-9)21-8-7-16-13(19)15-6-2-1-3-10(15)14-16/h1-6H,7-8H2,(H,17,18).
What are the key properties of 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid?
5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid has a molecular weight of 305.31 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)ethylsulfanyl]furan-2-carboxylic acid is sourced from PubChem (CID 63943173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).