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

C9H14N2O — CID 15768473

IUPAC5,6-diethyl-3-methyl-1H-pyrazin-2-one
SMILESCCc1nc(C)c(=O)[nH]c1CC
InChIInChI=1S/C9H14N2O/c1-4-7-8(5-2)11-9(12)6(3)10-7/h4-5H2,1-3H3,(H,11,12)
InChIKeyORCSFDRCDHCDGG-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.20
Rot. Bonds2

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

5,6-diethyl-3-methyl-1H-pyrazin-2-one (PubChem CID 15768473) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,6-diethyl-3-methyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name5,6-diethyl-3-methyl-1H-pyrazin-2-one
PubChem CID15768473
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5,6-diethyl-3-methyl-1H-pyrazin-2-one
SMILESCCc1nc(C)c(=O)[nH]c1CC
InChIInChI=1S/C9H14N2O/c1-4-7-8(5-2)11-9(12)6(3)10-7/h4-5H2,1-3H3,(H,11,12)
InChIKeyORCSFDRCDHCDGG-UHFFFAOYSA-N
XLogP1.20
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-3-methyl-1H-pyrazin-2-one?
The IUPAC name of 5,6-diethyl-3-methyl-1H-pyrazin-2-one (CID 15768473) is 5,6-diethyl-3-methyl-1H-pyrazin-2-one.
What is the SMILES notation for 5,6-diethyl-3-methyl-1H-pyrazin-2-one?
The canonical SMILES for 5,6-diethyl-3-methyl-1H-pyrazin-2-one is CCc1nc(C)c(=O)[nH]c1CC.
What is the InChIKey of 5,6-diethyl-3-methyl-1H-pyrazin-2-one?
The InChIKey is ORCSFDRCDHCDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-7-8(5-2)11-9(12)6(3)10-7/h4-5H2,1-3H3,(H,11,12).
What are the key properties of 5,6-diethyl-3-methyl-1H-pyrazin-2-one?
5,6-diethyl-3-methyl-1H-pyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-3-methyl-1H-pyrazin-2-one is sourced from PubChem (CID 15768473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).