1,3-diethylpyrazin-2-one

C8H12N2O — CID 67987430

IUPAC1,3-diethylpyrazin-2-one
SMILESCCc1nccn(CC)c1=O
InChIInChI=1S/C8H12N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKeyUSGBWSXMBXHRFB-UHFFFAOYSA-N
MW152.20 g/mol
LogP0.83
Rot. Bonds2

About 1,3-diethylpyrazin-2-one

1,3-diethylpyrazin-2-one (PubChem CID 67987430) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1,3-diethylpyrazin-2-one.

Molecular Properties

Compound Name1,3-diethylpyrazin-2-one
PubChem CID67987430
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1,3-diethylpyrazin-2-one
SMILESCCc1nccn(CC)c1=O
InChIInChI=1S/C8H12N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h5-6H,3-4H2,1-2H3
InChIKeyUSGBWSXMBXHRFB-UHFFFAOYSA-N
XLogP0.83
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,3-diethylpyrazin-2-one?
The IUPAC name of 1,3-diethylpyrazin-2-one (CID 67987430) is 1,3-diethylpyrazin-2-one.
What is the SMILES notation for 1,3-diethylpyrazin-2-one?
The canonical SMILES for 1,3-diethylpyrazin-2-one is CCc1nccn(CC)c1=O.
What is the InChIKey of 1,3-diethylpyrazin-2-one?
The InChIKey is USGBWSXMBXHRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-3-7-8(11)10(4-2)6-5-9-7/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,3-diethylpyrazin-2-one?
1,3-diethylpyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethylpyrazin-2-one is sourced from PubChem (CID 67987430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).