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

C13H11N3O4 — CID 11543623

IUPAC1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H11N3O4/c1-7-6-10(17)11(13(19)20)15-16(7)9-4-2-8(3-5-9)12(14)18/h2-6H,1H3,(H2,14,18)(H,19,20)
InChIKeyLLCNJMWDAARJPP-UHFFFAOYSA-N
MW273.25 g/mol
LogP0.34
Rot. Bonds3

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

1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (PubChem CID 11543623) has the molecular formula C13H11N3O4 and a molecular weight of 273.25 g/mol. Its IUPAC name is 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
PubChem CID11543623
Molecular FormulaC13H11N3O4
Molecular Weight273.25 g/mol
Exact Mass273.07
IUPAC Name1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
SMILESCc1cc(=O)c(C(=O)O)nn1-c1ccc(C(N)=O)cc1
InChIInChI=1S/C13H11N3O4/c1-7-6-10(17)11(13(19)20)15-16(7)9-4-2-8(3-5-9)12(14)18/h2-6H,1H3,(H2,14,18)(H,19,20)
InChIKeyLLCNJMWDAARJPP-UHFFFAOYSA-N
XLogP0.34
TPSA115.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
CID 43154901
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
N-[(3-carbamoylphenyl)methyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 32637086
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
5-methyl-1-phenylpyrazole-3-carboxamide
CID 68896199
3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421210
(2-anilino-2-oxoethyl) 6-methyl-4-oxo-1-phenylpyridazine-3-carboxylate
CID 33124998
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]-6-methyl-1-phenylpyridazin-4-one
CID 8967321
6-methyl-N-(4-methylpiperazin-1-yl)-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9075242

Frequently Asked Questions

What is the IUPAC name of 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The IUPAC name of 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid (CID 11543623) is 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid.
What is the SMILES notation for 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The canonical SMILES for 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is Cc1cc(=O)c(C(=O)O)nn1-c1ccc(C(N)=O)cc1.
What is the InChIKey of 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
The InChIKey is LLCNJMWDAARJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4/c1-7-6-10(17)11(13(19)20)15-16(7)9-4-2-8(3-5-9)12(14)18/h2-6H,1H3,(H2,14,18)(H,19,20).
What are the key properties of 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid?
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid has a molecular weight of 273.25 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid is sourced from PubChem (CID 11543623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).