6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid

C15H16N2O3 — CID 43154901

IUPAC6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
SMILESCCCc1ccc(-n2nc(C(=O)O)c(=O)cc2C)cc1
InChIInChI=1S/C15H16N2O3/c1-3-4-11-5-7-12(8-6-11)17-10(2)9-13(18)14(16-17)15(19)20/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeySRTFINJGOROURP-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.19
Rot. Bonds4

About 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid

6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid (PubChem CID 43154901) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
PubChem CID43154901
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid
SMILESCCCc1ccc(-n2nc(C(=O)O)c(=O)cc2C)cc1
InChIInChI=1S/C15H16N2O3/c1-3-4-11-5-7-12(8-6-11)17-10(2)9-13(18)14(16-17)15(19)20/h5-9H,3-4H2,1-2H3,(H,19,20)
InChIKeySRTFINJGOROURP-UHFFFAOYSA-N
XLogP2.19
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
6-methyl-4-oxo-1-(4-phenoxyphenyl)pyridazine-3-carboxylic acid
CID 94962369
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
1-(2-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154900
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633
N-(4-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 9078101
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
6-ethyl-1-(4-fluorophenyl)-4-oxopyridazine-3-carboxylic acid
CID 19806953
3-(azepane-1-carbonyl)-6-methyl-1-phenylpyridazin-4-one
CID 8869762
1-(4-chlorophenyl)-N-(4-ethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9077968
N-(2-ethylphenyl)-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 8565302
N'-[2-(4-chlorophenyl)acetyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carbohydrazide
CID 26924295

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid (CID 43154901) is 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid is CCCc1ccc(-n2nc(C(=O)O)c(=O)cc2C)cc1.
What is the InChIKey of 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid?
The InChIKey is SRTFINJGOROURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-3-4-11-5-7-12(8-6-11)17-10(2)9-13(18)14(16-17)15(19)20/h5-9H,3-4H2,1-2H3,(H,19,20).
What are the key properties of 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid?
6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-1-(4-propylphenyl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 43154901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).