2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid

C15H16N2O3 — CID 82419241

IUPAC2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
SMILESCc1ccc(-n2nc(CC(=O)O)c(=O)cc2C)c(C)c1
InChIInChI=1S/C15H16N2O3/c1-9-4-5-13(10(2)6-9)17-11(3)7-14(18)12(16-17)8-15(19)20/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyREIGPXSRGRFNJM-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.78
Rot. Bonds3

About 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid

2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid (PubChem CID 82419241) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
PubChem CID82419241
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
SMILESCc1ccc(-n2nc(CC(=O)O)c(=O)cc2C)c(C)c1
InChIInChI=1S/C15H16N2O3/c1-9-4-5-13(10(2)6-9)17-11(3)7-14(18)12(16-17)8-15(19)20/h4-7H,8H2,1-3H3,(H,19,20)
InChIKeyREIGPXSRGRFNJM-UHFFFAOYSA-N
XLogP1.78
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82420431
3-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]propanoyl chloride
CID 82419252
1-(2,4-dimethylphenyl)-3-(ethylaminomethyl)-6-methylpyridazin-4-one
CID 82419228
(E)-3-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]prop-2-enoic acid
CID 82419247
2-[5-bromo-1-(2,4-dimethylphenyl)-3-methylpyrazol-4-yl]acetic acid
CID 116817945
3-(chloromethyl)-1-(2,5-dimethylphenyl)-6-methylpyridazin-4-one
CID 82420428
2-[6-methyl-4-oxo-1-(4-propan-2-ylphenyl)pyridazin-3-yl]acetic acid
CID 82421430
2-[1-(3-chlorophenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid
CID 82419701
3-(hydroxymethyl)-6-methyl-1-(2-methylphenyl)pyridazin-4-one
CID 82419602
1-(4-bromo-2-methylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 81287980
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
1-[1-(2,4-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]propan-2-one
CID 82132146

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid (CID 82419241) is 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid is Cc1ccc(-n2nc(CC(=O)O)c(=O)cc2C)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
The InChIKey is REIGPXSRGRFNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-4-5-13(10(2)6-9)17-11(3)7-14(18)12(16-17)8-15(19)20/h4-7H,8H2,1-3H3,(H,19,20).
What are the key properties of 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid?
2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid has a molecular weight of 272.30 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)-6-methyl-4-oxopyridazin-3-yl]acetic acid is sourced from PubChem (CID 82419241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).