4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one

C14H14N2O3 — CID 82444114

IUPAC4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccccc1-c1cc(C(C)=O)c(=O)n(C)n1
InChIInChI=1S/C14H14N2O3/c1-9(17)11-8-12(15-16(2)14(11)18)10-6-4-5-7-13(10)19-3/h4-8H,1-3H3
InChIKeyOJGADVOOFDZIAM-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.66
Rot. Bonds3

About 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one

4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 82444114) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
PubChem CID82444114
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC Name4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccccc1-c1cc(C(C)=O)c(=O)n(C)n1
InChIInChI=1S/C14H14N2O3/c1-9(17)11-8-12(15-16(2)14(11)18)10-6-4-5-7-13(10)19-3/h4-8H,1-3H3
InChIKeyOJGADVOOFDZIAM-UHFFFAOYSA-N
XLogP1.66
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
2-[6-(2-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]acetyl chloride
CID 82444119
4-(chloromethyl)-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444106
3,5-bis(2-methoxyphenyl)-1-methylpyrazole
CID 19586953
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
1-[5-(2-methoxyphenyl)-1-methylpyrazol-3-yl]ethanone
CID 82128496
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carbothioamide
CID 82444531
6-(2-chlorophenyl)-2-methyl-3-oxopyridazine-4-carboxylic acid
CID 83588255
2-methyl-3-oxo-6-(2-propoxyphenyl)pyridazine-4-carbothioamide
CID 82444153
4-(2-methoxybenzoyl)-2,6-dimethylpyridazin-3-one
CID 12988741
6-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopyridazine-4-carboximidamide
CID 82444532
4-acetyl-6-(5-chloro-2-methoxyphenyl)-2-ethylpyridazin-3-one
CID 82445266

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one (CID 82444114) is 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one is COc1ccccc1-c1cc(C(C)=O)c(=O)n(C)n1.
What is the InChIKey of 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is OJGADVOOFDZIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-9(17)11-8-12(15-16(2)14(11)18)10-6-4-5-7-13(10)19-3/h4-8H,1-3H3.
What are the key properties of 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one?
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 258.28 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 82444114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).