5-Diazonio-4,5-dihydro-1H-imidazole-4-carboximidate--water (1/1)
Basic information
- CAS
121514-72-5- Standard SMILES
N#[N+]C1NC=NC1C(=N)[O-].O- InChIKey
RDVKGQQQFKQFQQ-UHFFFAOYSA-N- Molecular formula
- C4H7N5O2
- Average molar mass
- 157.13 g/mol
- Monoisotopic mass
- 157.05997448
Names & identifiers
- Preferred name
- 5-Diazonio-4,5-dihydro-1H-imidazole-4-carboximidate--water (1/1)
- IUPAC
- 5-diazonio-4,5-dihydro-1H-imidazole-4-carboximidate;hydrate
Names & synonyms
DTXSID209238435-Diazonio-4,5-dihydro-1H-imidazole-4-carboximidate--water (1/1)
Database identifiers
- CAS
121514-72-5- PubChem CID
- 138397643
- DTXSID
DTXSID20923843
Properties
Computed structural properties
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 225
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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