2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one

C20H20N2O — CID 7672212

IUPAC2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3)n2)cc1C
InChIInChI=1S/C20H20N2O/c1-14-11-16(3)18(12-15(14)2)19-9-10-20(23)22(21-19)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
InChIKeySYSYGZLTZHXBBS-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.88
Rot. Bonds3

About 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one

2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one (PubChem CID 7672212) has the molecular formula C20H20N2O and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
PubChem CID7672212
Molecular FormulaC20H20N2O
Molecular Weight304.39 g/mol
Exact Mass304.16
IUPAC Name2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one
SMILESCc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3)n2)cc1C
InChIInChI=1S/C20H20N2O/c1-14-11-16(3)18(12-15(14)2)19-9-10-20(23)22(21-19)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3
InChIKeySYSYGZLTZHXBBS-UHFFFAOYSA-N
XLogP3.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-6-(2,4,5-trimethylphenyl)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

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
The IUPAC name of 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one (CID 7672212) is 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
The canonical SMILES for 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one is Cc1cc(C)c(-c2ccc(=O)n(Cc3ccccc3)n2)cc1C.
What is the InChIKey of 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
The InChIKey is SYSYGZLTZHXBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O/c1-14-11-16(3)18(12-15(14)2)19-9-10-20(23)22(21-19)13-17-7-5-4-6-8-17/h4-12H,13H2,1-3H3.
What are the key properties of 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one?
2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one has a molecular weight of 304.39 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(2,4,5-trimethylphenyl)pyridazin-3-one is sourced from PubChem (CID 7672212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).