Completing data — usually done within a minute
Basic information
- CAS
86461-64-5- Standard SMILES
CC(C)CC(=O)c1cnccn1- InChIKey
HRVZGJWXBPJXKU-UHFFFAOYSA-N- Molecular formula
- C9H12N2O
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.09496301
Names & identifiers
- Preferred name
- 1-Butanone, 3-methyl-1-pyrazinyl-
- IUPAC
- 3-methyl-1-pyrazin-2-ylbutan-1-one
Names & synonyms
86461-64-51-Butanone, 3-methyl-1-pyrazinyl-DTXSID50339514RefChem:228898DTXCID502905953-methyl-1-(pyrazin-2-yl)butan-1-one1-(2-Pyrazinyl)-3-methyl-1-butanoneSCHEMBL8509785AKOS0100151843-Methyl-1-(2-pyrazinyl)-1-butanone #DB-290614NS00113798
Database identifiers
- CAS
86461-64-5- PubChem CID
- 556692
- DTXSID
DTXSID50339514- Nikkaji
- J583.052D
Properties
Computed structural propertiesFilling in
- XLogP
- 1.5
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Related reactions
6 records
Compound notes
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