3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid

C9H12N2O3 — CID 71755942

IUPAC3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCCc1n[nH]c(=O)c(C(=O)O)c1CC
InChIInChI=1S/C9H12N2O3/c1-3-5-6(4-2)10-11-8(12)7(5)9(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWGJNOUNQHWSSIS-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.59
Rot. Bonds3

About 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid

3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid (PubChem CID 71755942) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid.

Molecular Properties

Compound Name3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
PubChem CID71755942
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid
SMILESCCc1n[nH]c(=O)c(C(=O)O)c1CC
InChIInChI=1S/C9H12N2O3/c1-3-5-6(4-2)10-11-8(12)7(5)9(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyWGJNOUNQHWSSIS-UHFFFAOYSA-N
XLogP0.59
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-diethyl-6-oxo-1H-pyridazine-5-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 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The IUPAC name of 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid (CID 71755942) is 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid.
What is the SMILES notation for 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The canonical SMILES for 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid is CCc1n[nH]c(=O)c(C(=O)O)c1CC.
What is the InChIKey of 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid?
The InChIKey is WGJNOUNQHWSSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-5-6(4-2)10-11-8(12)7(5)9(13)14/h3-4H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid?
3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid has a molecular weight of 196.21 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-6-oxo-1H-pyridazine-5-carboxylic acid is sourced from PubChem (CID 71755942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).