4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one

C17H20N2O3 — CID 82444294

IUPAC4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
SMILESCC(=O)c1cc(-c2cccc(OCC(C)C)c2)nn(C)c1=O
InChIInChI=1S/C17H20N2O3/c1-11(2)10-22-14-7-5-6-13(8-14)16-9-15(12(3)20)17(21)19(4)18-16/h5-9,11H,10H2,1-4H3
InChIKeyGWBLGXGFBBCZMA-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.68
Rot. Bonds5

About 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one

4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one (PubChem CID 82444294) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one.

Molecular Properties

Compound Name4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
PubChem CID82444294
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one
SMILESCC(=O)c1cc(-c2cccc(OCC(C)C)c2)nn(C)c1=O
InChIInChI=1S/C17H20N2O3/c1-11(2)10-22-14-7-5-6-13(8-14)16-9-15(12(3)20)17(21)19(4)18-16/h5-9,11H,10H2,1-4H3
InChIKeyGWBLGXGFBBCZMA-UHFFFAOYSA-N
XLogP2.68
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-6-[3-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carbonitrile
CID 82444286
2-methyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboxylic acid
CID 82444253
3-[3-(2-methylpropoxy)phenyl]-6-oxo-1H-pyridazine-5-carbonyl chloride
CID 82446055
4-acetyl-2-methyl-6-(4-propoxyphenyl)pyridazin-3-one
CID 82444386
[3-[3-(2-methylpropoxy)phenyl]phenyl] acetate
CID 91802880
2-methyl-6-[2-(2-methylpropoxy)phenyl]-3-oxopyridazine-4-carboxylic acid
CID 82444166
6-methyl-2-[3-(2-methylpropoxy)phenyl]quinoline-4-carboxylic acid
CID 842809
3-[6-(3-methoxyphenyl)-2-methyl-3-oxopyridazin-4-yl]propanoic acid
CID 82444203
4-(chloromethyl)-2-methyl-6-(3-propoxyphenyl)pyridazin-3-one
CID 82444242
1-methyl-3-[3-(2-methylpropoxy)phenyl]benzene
CID 144804713
2-methyl-3-oxo-6-(3-propoxyphenyl)pyridazine-4-carbaldehyde
CID 82444237
4-acetyl-6-(2-methoxyphenyl)-2-methylpyridazin-3-one
CID 82444114

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one?
The IUPAC name of 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one (CID 82444294) is 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one.
What is the SMILES notation for 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one?
The canonical SMILES for 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one is CC(=O)c1cc(-c2cccc(OCC(C)C)c2)nn(C)c1=O.
What is the InChIKey of 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one?
The InChIKey is GWBLGXGFBBCZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-11(2)10-22-14-7-5-6-13(8-14)16-9-15(12(3)20)17(21)19(4)18-16/h5-9,11H,10H2,1-4H3.
What are the key properties of 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one?
4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one has a molecular weight of 300.36 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-2-methyl-6-[3-(2-methylpropoxy)phenyl]pyridazin-3-one is sourced from PubChem (CID 82444294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).