3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one

C15H16N2O3 — CID 82420636

IUPAC3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
SMILESCOc1ccc(C)cc1-n1nc(C(C)=O)c(=O)cc1C
InChIInChI=1S/C15H16N2O3/c1-9-5-6-14(20-4)12(7-9)17-10(2)8-13(19)15(16-17)11(3)18/h5-8H,1-4H3
InChIKeyRGAIDAHTXBXDRS-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.06
Rot. Bonds3

About 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one

3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one (PubChem CID 82420636) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one.

Molecular Properties

Compound Name3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
PubChem CID82420636
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one
SMILESCOc1ccc(C)cc1-n1nc(C(C)=O)c(=O)cc1C
InChIInChI=1S/C15H16N2O3/c1-9-5-6-14(20-4)12(7-9)17-10(2)8-13(19)15(16-17)11(3)18/h5-8H,1-4H3
InChIKeyRGAIDAHTXBXDRS-UHFFFAOYSA-N
XLogP2.06
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-1-(5-chloro-2-methoxyphenyl)-6-methylpyridazin-4-one
CID 82420543
1-(2-methoxy-5-methylphenyl)-6-methyl-4-oxopyridazine-3-carboximidamide
CID 82420628
1-(2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419537
1-(5-chloro-2-methoxyphenyl)-6-methyl-4-oxopyridazine-3-carbothioamide
CID 82420534
1-(2,5-dimethylphenyl)-6-methyl-4-oxopyridazine-3-carboxylic acid
CID 43154905
3-acetyl-1-(3,4-dimethylphenyl)-6-methylpyridazin-4-one
CID 82421210
1-(3,4-dimethoxyphenyl)-6-methyl-4-oxopyridazine-3-carbonyl chloride
CID 82419046
1-(2-methoxy-5-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxylic acid
CID 28974044
1-(2-methoxy-5-methylphenyl)-5-methyltriazole-4-carboxamide
CID 82200726
2-[1-(2-methoxy-5-methylphenyl)-5-methylpyrazol-3-yl]acetonitrile
CID 82084697
(2-methoxyphenyl) 1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxylate
CID 26688241
3-(3,5-dimethylpyrazol-1-yl)-4-methoxybenzoic acid
CID 71308083

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one?
The IUPAC name of 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one (CID 82420636) is 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one.
What is the SMILES notation for 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one?
The canonical SMILES for 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one is COc1ccc(C)cc1-n1nc(C(C)=O)c(=O)cc1C.
What is the InChIKey of 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one?
The InChIKey is RGAIDAHTXBXDRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-9-5-6-14(20-4)12(7-9)17-10(2)8-13(19)15(16-17)11(3)18/h5-8H,1-4H3.
What are the key properties of 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one?
3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one has a molecular weight of 272.30 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-1-(2-methoxy-5-methylphenyl)-6-methylpyridazin-4-one is sourced from PubChem (CID 82420636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).