1,3-Dinitrosotetrahydropyrimidin-2(1h)-one
Basic information
- CAS
42846-84-4- Standard SMILES
O=NN1CCCN(N=O)C1=O- InChIKey
WKEAUHFRZXVBOB-UHFFFAOYSA-N- Molecular formula
- C4H6N4O3
- Average molar mass
- 158.12 g/mol
- Monoisotopic mass
- 158.04399007
Names & identifiers
- Preferred name
- 1,3-Dinitrosotetrahydropyrimidin-2(1h)-one
- IUPAC
- 1,3-dinitroso-1,3-diazinan-2-one
Names & synonyms
42846-84-41,3-dinitrosotetrahydropyrimidin-2(1h)-one1,3-dinitroso-1,3-diazinan-2-oneNSC75949DTXSID00291496NSC-75949
Database identifiers
- CAS
42846-84-4- PubChem CID
- 253267
- DTXSID
DTXSID00291496
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 82.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 176
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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