3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one

C23H24N2O2 — CID 54352055

IUPAC3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one
SMILESCC(C)COc1nc(=Cc2ccccc2)c(=O)n(C)c1=Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c1-17(2)16-27-22-21(15-19-12-8-5-9-13-19)25(3)23(26)20(24-22)14-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3
InChIKeyUGLQWUNECHIOQM-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.47
Rot. Bonds5

About 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one

3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one (PubChem CID 54352055) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one.

Molecular Properties

Compound Name3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one
PubChem CID54352055
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one
SMILESCC(C)COc1nc(=Cc2ccccc2)c(=O)n(C)c1=Cc1ccccc1
InChIInChI=1S/C23H24N2O2/c1-17(2)16-27-22-21(15-19-12-8-5-9-13-19)25(3)23(26)20(24-22)14-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3
InChIKeyUGLQWUNECHIOQM-UHFFFAOYSA-N
XLogP2.47
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-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 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one?
The IUPAC name of 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one (CID 54352055) is 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one.
What is the SMILES notation for 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one?
The canonical SMILES for 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one is CC(C)COc1nc(=Cc2ccccc2)c(=O)n(C)c1=Cc1ccccc1.
What is the InChIKey of 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one?
The InChIKey is UGLQWUNECHIOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-17(2)16-27-22-21(15-19-12-8-5-9-13-19)25(3)23(26)20(24-22)14-18-10-6-4-7-11-18/h4-15,17H,16H2,1-3H3.
What are the key properties of 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one?
3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one has a molecular weight of 360.46 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzylidene-1-methyl-5-(2-methylpropoxy)pyrazin-2-one is sourced from PubChem (CID 54352055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).