3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid

C10H11N3O3S — CID 103224283

IUPAC3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
SMILESCOCC(Sc1nnc2ccccn12)C(=O)O
InChIInChI=1S/C10H11N3O3S/c1-16-6-7(9(14)15)17-10-12-11-8-4-2-3-5-13(8)10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyJHWCZFBIRWTJFR-UHFFFAOYSA-N
MW253.28 g/mol
LogP0.92
Rot. Bonds5

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

3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid (PubChem CID 103224283) has the molecular formula C10H11N3O3S and a molecular weight of 253.28 g/mol. Its IUPAC name is 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
PubChem CID103224283
Molecular FormulaC10H11N3O3S
Molecular Weight253.28 g/mol
Exact Mass253.05
IUPAC Name3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid
SMILESCOCC(Sc1nnc2ccccn12)C(=O)O
InChIInChI=1S/C10H11N3O3S/c1-16-6-7(9(14)15)17-10-12-11-8-4-2-3-5-13(8)10/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyJHWCZFBIRWTJFR-UHFFFAOYSA-N
XLogP0.92
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic 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 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid?
The IUPAC name of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid (CID 103224283) is 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid.
What is the SMILES notation for 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid?
The canonical SMILES for 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid is COCC(Sc1nnc2ccccn12)C(=O)O.
What is the InChIKey of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid?
The InChIKey is JHWCZFBIRWTJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3S/c1-16-6-7(9(14)15)17-10-12-11-8-4-2-3-5-13(8)10/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid?
3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid has a molecular weight of 253.28 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanyl)propanoic acid is sourced from PubChem (CID 103224283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).