5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid

C7H5N3O3 — CID 13333904

IUPAC5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid
SMILESCc1n[nH]c(=O)c(C#N)c1C(=O)O
InChIInChI=1S/C7H5N3O3/c1-3-5(7(12)13)4(2-8)6(11)10-9-3/h1H3,(H,10,11)(H,12,13)
InChIKeyHEAGKGSXNHZGAW-UHFFFAOYSA-N
MW179.13 g/mol
LogP-0.35
Rot. Bonds1

About 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid

5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid (PubChem CID 13333904) has the molecular formula C7H5N3O3 and a molecular weight of 179.13 g/mol. Its IUPAC name is 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid
PubChem CID13333904
Molecular FormulaC7H5N3O3
Molecular Weight179.13 g/mol
Exact Mass179.03
IUPAC Name5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid
SMILESCc1n[nH]c(=O)c(C#N)c1C(=O)O
InChIInChI=1S/C7H5N3O3/c1-3-5(7(12)13)4(2-8)6(11)10-9-3/h1H3,(H,10,11)(H,12,13)
InChIKeyHEAGKGSXNHZGAW-UHFFFAOYSA-N
XLogP-0.35
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-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

Related Compounds

3,4-dimethyl-6-oxo-1H-pyridazine-5-carbonitrile;hydrochloride
CID 66980847
2-cyano-3-oxocyclopropene-1-carboxylic acid
CID 118306704
6-cyanobenzene-1,2,3,4,5-pentacarboxylic acid
CID 139992320
4-[3-(dimethylamino)-3-oxopropyl]-3-methyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 175803915
1-(4-cyano-1,3-dimethylpyrazol-5-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 63756664
3-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-methyl-6-oxo-1H-pyridazine-5-carbonitrile
CID 143774361
acetonitrile;4,5-dimethyl-1H-pyrazole-3-carboxylic acid
CID 158748377
5-cyano-3-methyl-1,2-thiazole-4-carboxylic acid
CID 82413415
5-amino-3-(4-methylphenyl)-6-oxo-1H-pyridazine-4-carboxylic acid
CID 68895150
3-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-1H-1,2,4-triazole-5-carboxylic acid
CID 135733671
6-cyano-2,4-dimethylpyridine-3-carboxylic acid
CID 57431550
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
CID 71755942

Frequently Asked Questions

What is the IUPAC name of 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid?
The IUPAC name of 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid (CID 13333904) is 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid.
What is the SMILES notation for 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid?
The canonical SMILES for 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid is Cc1n[nH]c(=O)c(C#N)c1C(=O)O.
What is the InChIKey of 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid?
The InChIKey is HEAGKGSXNHZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3/c1-3-5(7(12)13)4(2-8)6(11)10-9-3/h1H3,(H,10,11)(H,12,13).
What are the key properties of 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid?
5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid has a molecular weight of 179.13 g/mol, XLogP of -0.35, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-3-methyl-6-oxo-1H-pyridazine-4-carboxylic acid is sourced from PubChem (CID 13333904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).