1-methyl-6-oxopyridazine-4-carboxylic acid

C6H6N2O3 — CID 66617048

IUPAC1-methyl-6-oxopyridazine-4-carboxylic acid
SMILESCn1ncc(C(=O)O)cc1=O
InChIInChI=1S/C6H6N2O3/c1-8-5(9)2-4(3-7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChIKeySGPJKIXGNKEFGJ-UHFFFAOYSA-N
MW154.12 g/mol
LogP-0.52
Rot. Bonds1

About 1-methyl-6-oxopyridazine-4-carboxylic acid

1-methyl-6-oxopyridazine-4-carboxylic acid (PubChem CID 66617048) has the molecular formula C6H6N2O3 and a molecular weight of 154.12 g/mol. Its IUPAC name is 1-methyl-6-oxopyridazine-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxopyridazine-4-carboxylic acid
PubChem CID66617048
Molecular FormulaC6H6N2O3
Molecular Weight154.12 g/mol
Exact Mass154.04
IUPAC Name1-methyl-6-oxopyridazine-4-carboxylic acid
SMILESCn1ncc(C(=O)O)cc1=O
InChIInChI=1S/C6H6N2O3/c1-8-5(9)2-4(3-7-8)6(10)11/h2-3H,1H3,(H,10,11)
InChIKeySGPJKIXGNKEFGJ-UHFFFAOYSA-N
XLogP-0.52
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.12
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-oxopyridazine-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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxopyridazine-4-carboxylic acid?
The IUPAC name of 1-methyl-6-oxopyridazine-4-carboxylic acid (CID 66617048) is 1-methyl-6-oxopyridazine-4-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxopyridazine-4-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxopyridazine-4-carboxylic acid is Cn1ncc(C(=O)O)cc1=O.
What is the InChIKey of 1-methyl-6-oxopyridazine-4-carboxylic acid?
The InChIKey is SGPJKIXGNKEFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O3/c1-8-5(9)2-4(3-7-8)6(10)11/h2-3H,1H3,(H,10,11).
What are the key properties of 1-methyl-6-oxopyridazine-4-carboxylic acid?
1-methyl-6-oxopyridazine-4-carboxylic acid has a molecular weight of 154.12 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxopyridazine-4-carboxylic acid is sourced from PubChem (CID 66617048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).