Basic information
- CAS
33216-89-6- Standard SMILES
CCc1nc(C)c(=O)[nH]c1C- InChIKey
RSYGJEQPLQQHBH-UHFFFAOYSA-N- Molecular formula
- C8H12N2O
- Average molar mass
- 152.19 g/mol
- Monoisotopic mass
- 152.09496301
Names & identifiers
- Preferred name
- 5-Ethyl-3,6-dimethylpyrazin-2(1H)-one
- IUPAC
- 5-ethyl-3,6-dimethyl-1H-pyrazin-2-one
- English name
- 2(1H)-Pyrazinone,5-ethyl-3,6-dimethyl-(9CI)
- Molecular formula
- C8H12N2O
- Molecular weight
- 152.19
Names & synonyms
33216-89-6DTXSID305781465-Ethyl-3,6-dimethylpyrazin-2(1H)-oneRefChem:302954DTXCID005289163,6-dimethyl-5-ethyl-2(1H)-pyrazinone2(1H)-Pyrazinone,5-ethyl-3,6-dimethyl-(9CI)RSYGJEQPLQQHBH-UHFFFAOYSA-NDB-2803632(1H)-Pyrazinone, 5-ethyl-3,6-dimethyl-5-ETHYL-3,6-DIMETHYL-2(1H)-PYRAZINONE
Database identifiers
- CAS
33216-89-6- PubChem CID
- 15768472
- DTXSID
DTXSID30578146- Nikkaji
- J634.016D
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 251
Physicochemical properties
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 11.82 · 11.82±0.70(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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