3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one

C15H16N2O2 — CID 82421210

IUPAC3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
SMILESCC(=O)c1nn(-c2ccc(C)c(C)c2)c(C)cc1=O
InChIInChI=1S/C15H16N2O2/c1-9-5-6-13(7-10(9)2)17-11(3)8-14(19)15(16-17)12(4)18/h5-8H,1-4H3
InChIKeyXKHIAZIPSHGJFC-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.36
Rot. Bonds2

About 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one

3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one (PubChem CID 82421210) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
PubChem CID82421210
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
SMILESCC(=O)c1nn(-c2ccc(C)c(C)c2)c(C)cc1=O
InChIInChI=1S/C15H16N2O2/c1-9-5-6-13(7-10(9)2)17-11(3)8-14(19)15(16-17)12(4)18/h5-8H,1-4H3
InChIKeyXKHIAZIPSHGJFC-UHFFFAOYSA-N
XLogP2.36
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 9191703
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
1-(2,3-dihydro-1H-inden-5-yl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154903
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
CID 82420636
1-(4-carbamoylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 11543623
3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
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-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271
1-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)-6-methylpyridazin-4-one
CID 82419439
N-[2-(ethylamino)-2-oxoethyl]-6-methyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 86909633

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one (CID 82421210) is 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one is CC(=O)c1nn(-c2ccc(C)c(C)c2)c(C)cc1=O.
What is the InChIKey of 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one?
The InChIKey is XKHIAZIPSHGJFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-9-5-6-13(7-10(9)2)17-11(3)8-14(19)15(16-17)12(4)18/h5-8H,1-4H3.
What are the key properties of 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one?
3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one has a molecular weight of 256.30 g/mol, XLogP of 2.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82421210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).