Basic information
- CAS
160668-42-8- Standard SMILES
CCc1nc(C)c(=O)[nH]c1CC- InChIKey
ORCSFDRCDHCDGG-UHFFFAOYSA-N- Molecular formula
- C9H14N2O
- Average molar mass
- 166.22 g/mol
- Monoisotopic mass
- 166.11061307
Names & identifiers
- Preferred name
- 5,6-Diethyl-3-methyl-2(1H)-pyrazinone
- IUPAC
- 5,6-diethyl-3-methyl-1H-pyrazin-2-one
Names & synonyms
160668-42-85,6-Diethyl-3-methyl-2(1H)-pyrazinoneRefChem:2986153-methyl-5,6-diethyl-2(1H)-pyrazinoneSCHEMBL8508802SCHEMBL14734455ORCSFDRCDHCDGG-UHFFFAOYSA-NDTXSID6012871385,6-Diethyl-3-methylpyrazin-2(1H)-one
Database identifiers
- CAS
160668-42-8- PubChem CID
- 15768473
- DTXSID
DTXSID601287138- Nikkaji
- J634.019I
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 264
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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