Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
Basic information
- CAS
91112-63-9- Standard SMILES
O=NN1C(=O)NC2NC(=O)NC21N=O- InChIKey
WIHHVIFNOIVFGH-UHFFFAOYSA-N- Molecular formula
- C4H4N6O4
- Average molar mass
- 200.11 g/mol
- Monoisotopic mass
- 200.02940263
Names & identifiers
- Preferred name
- Tetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dione
- IUPAC
- 3a,4-dinitroso-1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dione
Names & synonyms
91112-63-9Glycoluril, dinitroso-3a,4-dinitroso-1,3,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-dioneDinitrosotetrahydroimidazo(4,5-d)imidazole-2,5(1H,3H)dioneTetrahydro-dinitrosoimidazo(4,5-d)imidazole-2,5(1H,3H)-dioneImidazo(4,5-d)imidazole-2,5(1H,3H)-dione, tetrahydro-dinitroso-DTXSID109199521,6a-Dinitroso-1,3a,6,6a-tetrahydroimidazo[4,5-d]imidazole-2,5-diol
Database identifiers
- CAS
91112-63-9- PubChem CID
- 150323
- DTXSID
DTXSID10919952
Properties
Computed structural properties
- XLogP
- -2.5
- Topological polar surface area
- 132 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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