1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-
Basic information
- CAS
18852-14-7- Standard SMILES
O=C1NNC(=O)c2ccccc2N1- InChIKey
CVZWVWUMINKTDA-UHFFFAOYSA-N- Molecular formula
- C8H7N3O2
- Average molar mass
- 177.16 g/mol
- Monoisotopic mass
- 177.05382648
Names & identifiers
- Preferred name
- 1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-
- IUPAC
- 3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
Names & synonyms
3,4-Dihydro-1H-1,3,4-benzotriazepine-2,5-dione18852-14-7BRN 07462221,3,4-Benzotriazepine-1H-2,5-dione1H-1,3,4-Benzotriazepine-2,5-dione, 3,4-dihydro-DTXSID70172208RefChem:237100DTXCID60946992,3,4,5-tetrahydro-1h-1,3,4-benzotriazepine-2,5-dioneEN300-2008097
Database identifiers
- CAS
18852-14-7- PubChem CID
- 29305
- DTXSID
DTXSID70172208- Nikkaji
- J67.814G
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 70.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 242
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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