4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid

C13H12N2O3 — CID 169228604

IUPAC4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)c(C)cc2=O)cc1
InChIInChI=1S/C13H12N2O3/c1-8-3-5-10(6-4-8)15-11(16)7-9(2)12(14-15)13(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyNPDDJHOCIUQAOT-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.55
Rot. Bonds2

About 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid

4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid (PubChem CID 169228604) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
PubChem CID169228604
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
SMILESCc1ccc(-n2nc(C(=O)O)c(C)cc2=O)cc1
InChIInChI=1S/C13H12N2O3/c1-8-3-5-10(6-4-8)15-11(16)7-9(2)12(14-15)13(17)18/h3-7H,1-2H3,(H,17,18)
InChIKeyNPDDJHOCIUQAOT-UHFFFAOYSA-N
XLogP1.55
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 175811196
1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid
CID 28603373
2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazine-6-carboxylic acid
CID 4186658
1-(4-methylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxylic acid
CID 16776357
5-methyl-2-(4-methylphenyl)triazole-4-carboxylic acid
CID 1476841
ethyl 4-(4-ethoxycarbonylpiperazin-1-yl)-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylate
CID 18571461
4-methoxy-1-(4-methylphenyl)-6-oxo-N-[(1S)-1-phenylethyl]pyridazine-3-carboxamide
CID 8556306
ethyl 1-(4-methylphenyl)-6-oxo-4-(propylamino)pyridazine-3-carboxylate
CID 18571467
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-(4-methylphenyl)-5-propan-2-ylpyrazole-3-carboxylic acid
CID 22831933
3-methoxy-1-(4-methylphenyl)pyrazole-5-carboxylic acid
CID 83864128
N-(4-fluorophenyl)-4-methoxy-1-(4-methylphenyl)-6-oxopyridazine-3-carboxamide
CID 8555849

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid (CID 169228604) is 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid is Cc1ccc(-n2nc(C(=O)O)c(C)cc2=O)cc1.
What is the InChIKey of 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
The InChIKey is NPDDJHOCIUQAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c1-8-3-5-10(6-4-8)15-11(16)7-9(2)12(14-15)13(17)18/h3-7H,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid?
4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid has a molecular weight of 244.25 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-methylphenyl)-6-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 169228604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).