Basic information
- CAS
57831-66-0- Standard SMILES
O=[N+]([O-])c1cnc2n1CCn1ccnc1-2- InChIKey
IVSXYFTUHZSWIJ-UHFFFAOYSA-N- Molecular formula
- C8H7N5O2
- Average molar mass
- 205.17 g/mol
- Monoisotopic mass
- 205.05997448
Names & identifiers
- Preferred name
- 5H,6H-Diimidazo(1,2-a;2',1'-c)pyrazine, 3-nitro-
- IUPAC
- 5-nitro-3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraene
- English name
- 5,6-Dihydro-3-nitrodiimidazo[1,2-a:2',1'-c]pyrazine
- Molecular formula
- C8H7N5O2
- Molecular weight
- 205.17
Names & synonyms
57831-66-0BRN 11280835H,6H-DIIMIDAZO(1,2-a;2',1'-c)PYRAZINE, 3-NITRO-3-Nitro-5H,6H-diimidazo(1,2-a;2',1'-c)pyrazineDTXSID40206544RefChem:305104DTXCID701290355,6-Dihydro-3-nitrodiimidazo[1,2-a:2',1'-c]pyrazineDB-3170183-Nitro-5,6-dihydrodiimidazo[1,2-a:2',1'-c]pyrazine5-nitro-3,6,9,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(12),2,4,10-tetraeneDiimidazo[1,2-a:2',1'-c]pyrazine, 5,6-dihydro-3-nitro-
Database identifiers
- CAS
57831-66-0- PubChem CID
- 42583
- DTXSID
DTXSID40206544- Nikkaji
- J69.158E
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 81.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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