Basic information
- CAS
54978-23-3- Standard SMILES
Cl.Cl.NC1=NNC(=O)C=NN1- InChIKey
LIFDODGRAGYKIV-UHFFFAOYSA-N- Molecular formula
- C3H7Cl2N5O
- Average molar mass
- 200.02 g/mol
- Monoisotopic mass
- 199.0027653
Names & identifiers
- Preferred name
- 6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochloride
- IUPAC
- 3-amino-1,4-dihydro-1,2,4,5-tetrazepin-7-one;dihydrochloride
Names & synonyms
6H-1,2,4,5-Tetrazepin-6-one, 3-amino-2,5-dihydro-, dihydrochlorideDTXSID9020350854978-23-33-Amino-2,5-dihydro-6H-1,2,4,5-tetrazepin-6-one dihydrochloride1,2,4-Trihydro-3-imino-7-keto-3H-1,2,4,5-tetrazepine dihydrochlorideRefChem:309492DTXCID501259993-Amino-2,5-dihydro-6H-1,2,4,5-tetrazepin-6-one--hydrogen chloride (1/2)
Database identifiers
- CAS
54978-23-3- PubChem CID
- 3043045
- DTXSID
DTXSID90203508
Properties
Computed structural properties
- Topological polar surface area
- 91.9 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 183
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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