3,6-dibenzyl-5-methyl-1H-pyrazin-2-one

C19H18N2O — CID 10565431

IUPAC3,6-dibenzyl-5-methyl-1H-pyrazin-2-one
SMILESCc1nc(Cc2ccccc2)c(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-17(12-15-8-4-2-5-9-15)21-19(22)18(20-14)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyJWGCXKPKEBPFNG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.26
Rot. Bonds4

About 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one

3,6-dibenzyl-5-methyl-1H-pyrazin-2-one (PubChem CID 10565431) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3,6-dibenzyl-5-methyl-1H-pyrazin-2-one
PubChem CID10565431
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name3,6-dibenzyl-5-methyl-1H-pyrazin-2-one
SMILESCc1nc(Cc2ccccc2)c(=O)[nH]c1Cc1ccccc1
InChIInChI=1S/C19H18N2O/c1-14-17(12-15-8-4-2-5-9-15)21-19(22)18(20-14)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,21,22)
InChIKeyJWGCXKPKEBPFNG-UHFFFAOYSA-N
XLogP3.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one?
The IUPAC name of 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one (CID 10565431) is 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one?
The canonical SMILES for 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one is Cc1nc(Cc2ccccc2)c(=O)[nH]c1Cc1ccccc1.
What is the InChIKey of 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one?
The InChIKey is JWGCXKPKEBPFNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-14-17(12-15-8-4-2-5-9-15)21-19(22)18(20-14)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,21,22).
What are the key properties of 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one?
3,6-dibenzyl-5-methyl-1H-pyrazin-2-one has a molecular weight of 290.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dibenzyl-5-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 10565431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).