2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one

C19H18N2O4 — CID 76683951

IUPAC2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2ccc(=O)n(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-9-8-15(12-17(16)24-2)25-18-10-11-19(22)21(20-18)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyWBGIUIPVASDTQM-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.10
Rot. Bonds6

About 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one

2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one (PubChem CID 76683951) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
PubChem CID76683951
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC Name2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one
SMILESCOc1ccc(Oc2ccc(=O)n(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O4/c1-23-16-9-8-15(12-17(16)24-2)25-18-10-11-19(22)21(20-18)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyWBGIUIPVASDTQM-UHFFFAOYSA-N
XLogP3.10
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzyl-6-(2,5-dimethoxyphenyl)pyridazin-3-one
CID 7671786
1-benzyl-N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-6-oxopyridazine-3-carboxamide
CID 51143596
6-phenoxy-2-[[3-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-3-one
CID 141268428
3-[(3-methoxy-6-oxopyridazin-1-yl)methyl]benzamide
CID 145134299
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
2-benzyl-6-methoxy-4-methylpyridazin-3-one
CID 91168973
2-benzyl-6-chloropyridazin-3-one;2-benzyl-6-[(5,6-dimethoxy-2-pyridinyl)amino]pyridazin-3-one;5,6-dimethoxypyridin-2-amine
CID 160937053
[1-benzyl-5-(3,4-dimethoxyphenyl)pyrazol-3-yl]methanamine
CID 82072343
2-benzyl-4-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydrophthalazin-1-one
CID 11003326
1-benzyl-N-[(4-methoxyphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 2635698
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
CID 7672212
1-benzyl-N-[1-(2-methoxy-5-methylphenyl)ethyl]-6-oxopyridazine-3-carboxamide
CID 51212377

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one (CID 76683951) is 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one is COc1ccc(Oc2ccc(=O)n(Cc3ccccc3)n2)cc1OC.
What is the InChIKey of 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one?
The InChIKey is WBGIUIPVASDTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-23-16-9-8-15(12-17(16)24-2)25-18-10-11-19(22)21(20-18)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one?
2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one has a molecular weight of 338.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,4-dimethoxyphenoxy)pyridazin-3-one is sourced from PubChem (CID 76683951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).