5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid

C12H10N2O3 — CID 162450426

IUPAC5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid
SMILESCc1ccc(-c2c[nH]nc(C(=O)O)c2=O)cc1
InChIInChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)9-6-13-14-10(11(9)15)12(16)17/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKeyWXEUGJQSMMCLQA-UHFFFAOYSA-N
MW230.22 g/mol
LogP1.44
Rot. Bonds2

About 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid

5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid (PubChem CID 162450426) has the molecular formula C12H10N2O3 and a molecular weight of 230.22 g/mol. Its IUPAC name is 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid
PubChem CID162450426
Molecular FormulaC12H10N2O3
Molecular Weight230.22 g/mol
Exact Mass230.07
IUPAC Name5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid
SMILESCc1ccc(-c2c[nH]nc(C(=O)O)c2=O)cc1
InChIInChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)9-6-13-14-10(11(9)15)12(16)17/h2-6H,1H3,(H,13,15)(H,16,17)
InChIKeyWXEUGJQSMMCLQA-UHFFFAOYSA-N
XLogP1.44
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.22
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-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 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid?
The IUPAC name of 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid (CID 162450426) is 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid.
What is the SMILES notation for 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid?
The canonical SMILES for 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid is Cc1ccc(-c2c[nH]nc(C(=O)O)c2=O)cc1.
What is the InChIKey of 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid?
The InChIKey is WXEUGJQSMMCLQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O3/c1-7-2-4-8(5-3-7)9-6-13-14-10(11(9)15)12(16)17/h2-6H,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid?
5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid has a molecular weight of 230.22 g/mol, XLogP of 1.44, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-4-oxo-1H-pyridazine-3-carboxylic acid is sourced from PubChem (CID 162450426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).