5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid

C13H9N3O6 — CID 108793532

IUPAC5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(=O)[nH]n2)cc(C(=O)O)c1
InChIInChI=1S/C13H9N3O6/c17-10-2-1-9(15-16-10)11(18)14-8-4-6(12(19)20)3-7(5-8)13(21)22/h1-5H,(H,14,18)(H,16,17)(H,19,20)(H,21,22)
InChIKeyLKCFYOZBIMNDDK-UHFFFAOYSA-N
MW303.23 g/mol
LogP0.42
Rot. Bonds4

About 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid

5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid (PubChem CID 108793532) has the molecular formula C13H9N3O6 and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
PubChem CID108793532
Molecular FormulaC13H9N3O6
Molecular Weight303.23 g/mol
Exact Mass303.05
IUPAC Name5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
SMILESO=C(O)c1cc(NC(=O)c2ccc(=O)[nH]n2)cc(C(=O)O)c1
InChIInChI=1S/C13H9N3O6/c17-10-2-1-9(15-16-10)11(18)14-8-4-6(12(19)20)3-7(5-8)13(21)22/h1-5H,(H,14,18)(H,16,17)(H,19,20)(H,21,22)
InChIKeyLKCFYOZBIMNDDK-UHFFFAOYSA-N
XLogP0.42
TPSA149.45 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 50.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid with MolForge

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

Launch Full Analysis

Related Compounds

N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
methyl 3-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 43404072
N-(3-amino-5-fluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040790
methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
6-oxo-N-(3-phenoxyphenyl)-1H-pyridazine-3-carboxamide
CID 86975908
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
CID 7185957
6-oxo-N-(2,4,5-trichlorophenyl)-1H-pyridazine-3-carboxamide
CID 103603355
N-(2-anilino-4-chlorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 122151177
N-(3-ethylphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 32736896
3-methyl-5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]thiophene-2-carboxylic acid
CID 43171259
N-(3-hydroxy-4-methoxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103600732

Frequently Asked Questions

What is the IUPAC name of 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The IUPAC name of 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid (CID 108793532) is 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The canonical SMILES for 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid is O=C(O)c1cc(NC(=O)c2ccc(=O)[nH]n2)cc(C(=O)O)c1.
What is the InChIKey of 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
The InChIKey is LKCFYOZBIMNDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N3O6/c17-10-2-1-9(15-16-10)11(18)14-8-4-6(12(19)20)3-7(5-8)13(21)22/h1-5H,(H,14,18)(H,16,17)(H,19,20)(H,21,22).
What are the key properties of 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid?
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid has a molecular weight of 303.23 g/mol, XLogP of 0.42, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 108793532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).