1-benzyl-5-chloro-3-methylpyrazin-2-one

C12H11ClN2O — CID 15521348

IUPAC1-benzyl-5-chloro-3-methylpyrazin-2-one
SMILESCc1nc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H11ClN2O/c1-9-12(16)15(8-11(13)14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyFTBMIDYCWVURBF-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.25
Rot. Bonds2

About 1-benzyl-5-chloro-3-methylpyrazin-2-one

1-benzyl-5-chloro-3-methylpyrazin-2-one (PubChem CID 15521348) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 1-benzyl-5-chloro-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-benzyl-5-chloro-3-methylpyrazin-2-one
PubChem CID15521348
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name1-benzyl-5-chloro-3-methylpyrazin-2-one
SMILESCc1nc(Cl)cn(Cc2ccccc2)c1=O
InChIInChI=1S/C12H11ClN2O/c1-9-12(16)15(8-11(13)14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyFTBMIDYCWVURBF-UHFFFAOYSA-N
XLogP2.25
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-chloro-3-methylpyrazin-2-one?
The IUPAC name of 1-benzyl-5-chloro-3-methylpyrazin-2-one (CID 15521348) is 1-benzyl-5-chloro-3-methylpyrazin-2-one.
What is the SMILES notation for 1-benzyl-5-chloro-3-methylpyrazin-2-one?
The canonical SMILES for 1-benzyl-5-chloro-3-methylpyrazin-2-one is Cc1nc(Cl)cn(Cc2ccccc2)c1=O.
What is the InChIKey of 1-benzyl-5-chloro-3-methylpyrazin-2-one?
The InChIKey is FTBMIDYCWVURBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c1-9-12(16)15(8-11(13)14-9)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-benzyl-5-chloro-3-methylpyrazin-2-one?
1-benzyl-5-chloro-3-methylpyrazin-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-chloro-3-methylpyrazin-2-one is sourced from PubChem (CID 15521348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).