3-imino-6-methyl-2,4-dihydro-1H-1,2,4,5-tetrazepin-7-one;hydrochloride
Basic information
- CAS
54978-24-4- Standard SMILES
CC1=NNC(=N)NNC1=O.Cl- InChIKey
VRFQXRKIUDIBGF-UHFFFAOYSA-N- Molecular formula
- C4H8ClN5O
- Average molar mass
- 177.59 g/mol
- Monoisotopic mass
- 177.0417376
Names & identifiers
- Preferred name
- 3-imino-6-methyl-2,4-dihydro-1H-1,2,4,5-tetrazepin-7-one;hydrochloride
- IUPAC
- 3-imino-6-methyl-2,4-dihydro-1H-1,2,4,5-tetrazepin-7-one;hydrochloride
Database identifiers
- CAS
54978-24-4- PubChem CID
- 176546366
Properties
Computed structural properties
- Topological polar surface area
- 89.4 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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