Basic information
- CAS
7697-98-5- Standard SMILES
Cc1nc2c(nc1C)C(=O)C(N1CC1)=CC2=O- InChIKey
KSVXOMZTTLPACO-UHFFFAOYSA-N- Molecular formula
- C12H11N3O2
- Average molar mass
- 229.23 g/mol
- Monoisotopic mass
- 229.0851266
Names & identifiers
- Preferred name
- 6-(Aziridin-1-yl)-2,3-dimethylquinoxaline-5,8-dione
- IUPAC
- 6-(aziridin-1-yl)-2,3-dimethylquinoxaline-5,8-dione
Names & synonyms
6-(aziridin-1-yl)-2,3-dimethylquinoxaline-5,8-dione7697-98-56-(aziridin-1-yl)-2,3-dimethyl-5,8-dihydroquinoxaline-5,8-dioneNSC149076DTXSID50302167NSC-149076
Database identifiers
- CAS
7697-98-5- PubChem CID
- 288306
- DTXSID
DTXSID50302167
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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