3-benzyl-5,6-dimethyl-1H-pyrazin-2-one

C13H14N2O — CID 10176742

IUPAC3-benzyl-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C13H14N2O/c1-9-10(2)15-13(16)12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyAXMUKMJAQMVEAP-UHFFFAOYSA-N
MW214.27 g/mol
LogP1.98
Rot. Bonds2

About 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one

3-benzyl-5,6-dimethyl-1H-pyrazin-2-one (PubChem CID 10176742) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-benzyl-5,6-dimethyl-1H-pyrazin-2-one
PubChem CID10176742
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name3-benzyl-5,6-dimethyl-1H-pyrazin-2-one
SMILESCc1nc(Cc2ccccc2)c(=O)[nH]c1C
InChIInChI=1S/C13H14N2O/c1-9-10(2)15-13(16)12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyAXMUKMJAQMVEAP-UHFFFAOYSA-N
XLogP1.98
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one?
The IUPAC name of 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one (CID 10176742) is 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one?
The canonical SMILES for 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one is Cc1nc(Cc2ccccc2)c(=O)[nH]c1C.
What is the InChIKey of 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one?
The InChIKey is AXMUKMJAQMVEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-10(2)15-13(16)12(14-9)8-11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one?
3-benzyl-5,6-dimethyl-1H-pyrazin-2-one has a molecular weight of 214.27 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5,6-dimethyl-1H-pyrazin-2-one is sourced from PubChem (CID 10176742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).