1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
Basic information
- CAS
18852-32-9- Standard SMILES
CN1C(=O)NNC(=O)c2ccccc21- InChIKey
GBKSVTSETRUISK-UHFFFAOYSA-N- Molecular formula
- C9H9N3O2
- Average molar mass
- 191.19 g/mol
- Monoisotopic mass
- 191.06947654
Names & identifiers
- Preferred name
- 1-Methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
- IUPAC
- 1-methyl-3,4-dihydro-1,3,4-benzotriazepine-2,5-dione
Names & synonyms
NSC30770118852-32-9DTXSID30316863NSC-3077011-Methyl-3,4-dihydro-1H-1,3,4-benzotriazepine-2,5-dione
Database identifiers
- CAS
18852-32-9- PubChem CID
- 328619
- DTXSID
DTXSID30316863
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 267
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Compound notes
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