6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one

C13H14N2O3 — CID 7659900

IUPAC6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(C)n2)cc1OC
InChIInChI=1S/C13H14N2O3/c1-15-13(16)7-5-10(14-15)9-4-6-11(17-2)12(8-9)18-3/h4-8H,1-3H3
InChIKeyTXSSOYVGOVQEPQ-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.46
Rot. Bonds3

About 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one

6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one (PubChem CID 7659900) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
PubChem CID7659900
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(C)n2)cc1OC
InChIInChI=1S/C13H14N2O3/c1-15-13(16)7-5-10(14-15)9-4-6-11(17-2)12(8-9)18-3/h4-8H,1-3H3
InChIKeyTXSSOYVGOVQEPQ-UHFFFAOYSA-N
XLogP1.46
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3,4-dimethoxyphenyl)-2-phenylpyridazin-3-one
CID 56850592
3-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carbaldehyde
CID 84761406
6-(3,4-dimethoxyphenyl)-2-methyl-3-oxopyridazine-4-carbonitrile
CID 82444439
2-methyl-6-(4-methylphenyl)pyridazin-3-one
CID 7027991
methyl (2S)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]butanoate
CID 7659911
2-methyl-6-(4-phenylphenyl)pyridazin-3-one
CID 57150273
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetamide
CID 3224542
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
6-(3-chlorophenyl)-2-methylpyridazin-3-one
CID 102592574
(2R)-2-[[2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]-3-methylbutanoic acid
CID 95394973
5-fluoro-2-methoxy-N-[3-(1-methyl-6-oxopyridazin-3-yl)phenyl]benzenesulfonamide
CID 16831419
3-(3-chloro-4-methoxyphenyl)-1-methylpyrazole-5-carboxylic acid
CID 82304555

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one?
The IUPAC name of 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one (CID 7659900) is 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one is COc1ccc(-c2ccc(=O)n(C)n2)cc1OC.
What is the InChIKey of 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one?
The InChIKey is TXSSOYVGOVQEPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-15-13(16)7-5-10(14-15)9-4-6-11(17-2)12(8-9)18-3/h4-8H,1-3H3.
What are the key properties of 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one?
6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one has a molecular weight of 246.27 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dimethoxyphenyl)-2-methylpyridazin-3-one is sourced from PubChem (CID 7659900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).