3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid

C11H9N3O4S — CID 43171259

IUPAC3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(=O)[nH]n2)sc1C(=O)O
InChIInChI=1S/C11H9N3O4S/c1-5-4-8(19-9(5)11(17)18)12-10(16)6-2-3-7(15)14-13-6/h2-4H,1H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyYKQXNWTXKADTMQ-UHFFFAOYSA-N
MW279.28 g/mol
LogP1.09
Rot. Bonds3

About 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid

3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid (PubChem CID 43171259) has the molecular formula C11H9N3O4S and a molecular weight of 279.28 g/mol. Its IUPAC name is 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
PubChem CID43171259
Molecular FormulaC11H9N3O4S
Molecular Weight279.28 g/mol
Exact Mass279.03
IUPAC Name3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
SMILESCc1cc(NC(=O)c2ccc(=O)[nH]n2)sc1C(=O)O
InChIInChI=1S/C11H9N3O4S/c1-5-4-8(19-9(5)11(17)18)12-10(16)6-2-3-7(15)14-13-6/h2-4H,1H3,(H,12,16)(H,14,15)(H,17,18)
InChIKeyYKQXNWTXKADTMQ-UHFFFAOYSA-N
XLogP1.09
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 51.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-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 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The IUPAC name of 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid (CID 43171259) is 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid is Cc1cc(NC(=O)c2ccc(=O)[nH]n2)sc1C(=O)O.
What is the InChIKey of 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid?
The InChIKey is YKQXNWTXKADTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O4S/c1-5-4-8(19-9(5)11(17)18)12-10(16)6-2-3-7(15)14-13-6/h2-4H,1H3,(H,12,16)(H,14,15)(H,17,18).
What are the key properties of 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid?
3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid has a molecular weight of 279.28 g/mol, XLogP of 1.09, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid is sourced from PubChem (CID 43171259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).