2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid

C11H10N2O3S — CID 122239458

IUPAC2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nc(-c2ccsc2)ccc1=O
InChIInChI=1S/C11H10N2O3S/c1-7(11(15)16)13-10(14)3-2-9(12-13)8-4-5-17-6-8/h2-7H,1H3,(H,15,16)
InChIKeyPRUKGJHGKXRBEX-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.62
Rot. Bonds3

About 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid

2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid (PubChem CID 122239458) has the molecular formula C11H10N2O3S and a molecular weight of 250.28 g/mol. Its IUPAC name is 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid
PubChem CID122239458
Molecular FormulaC11H10N2O3S
Molecular Weight250.28 g/mol
Exact Mass250.04
IUPAC Name2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid
SMILESCC(C(=O)O)n1nc(-c2ccsc2)ccc1=O
InChIInChI=1S/C11H10N2O3S/c1-7(11(15)16)13-10(14)3-2-9(12-13)8-4-5-17-6-8/h2-7H,1H3,(H,15,16)
InChIKeyPRUKGJHGKXRBEX-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)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 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid?
The IUPAC name of 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid (CID 122239458) is 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid.
What is the SMILES notation for 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid?
The canonical SMILES for 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid is CC(C(=O)O)n1nc(-c2ccsc2)ccc1=O.
What is the InChIKey of 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid?
The InChIKey is PRUKGJHGKXRBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3S/c1-7(11(15)16)13-10(14)3-2-9(12-13)8-4-5-17-6-8/h2-7H,1H3,(H,15,16).
What are the key properties of 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid?
2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid has a molecular weight of 250.28 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-thiophen-3-ylpyridazin-1-yl)propanoic acid is sourced from PubChem (CID 122239458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).