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

C19H18N2O3 — CID 7659902

IUPAC2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-17-10-8-15(12-18(17)24-2)16-9-11-19(22)21(20-16)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyCFUOLQVSAWKKAR-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.98
Rot. Bonds5

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

2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one (PubChem CID 7659902) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one
PubChem CID7659902
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-17-10-8-15(12-18(17)24-2)16-9-11-19(22)21(20-16)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3
InChIKeyCFUOLQVSAWKKAR-UHFFFAOYSA-N
XLogP2.98
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one (CID 7659902) is 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1OC.
What is the InChIKey of 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
The InChIKey is CFUOLQVSAWKKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-17-10-8-15(12-18(17)24-2)16-9-11-19(22)21(20-16)13-14-6-4-3-5-7-14/h3-12H,13H2,1-2H3.
What are the key properties of 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one?
2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one has a molecular weight of 322.36 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(3,4-dimethoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 7659902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).