2,4-dimethyl-3H-1,3,4-benzotriazepin-5-one
Basic information
- CAS
59169-80-1- Standard SMILES
CC1=Nc2ccccc2C(=O)N(C)N1- InChIKey
ZYKCYFCAFYKRQA-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- 2,4-dimethyl-3H-1,3,4-benzotriazepin-5-one
- IUPAC
- 2,4-dimethyl-3H-1,3,4-benzotriazepin-5-one
Names & synonyms
2,4-dimethyl-3H-1,3,4-benzotriazepin-5-one59169-80-1DTXSID90316864RefChem:246574DTXCID30267987NSC307702NSC-3077022,4-dimethyl-1H-1,3,4-benzotriazepin-5-one2,4-Dimethyl-1,4-dihydro-5H-1,3,4-benzotriazepin-5-one2,4-Dimethyl-3,4-dihydro-5H-1,3,4-benzotriazepin-5-one
Database identifiers
- CAS
59169-80-1- PubChem CID
- 328620
- DTXSID
DTXSID90316864- Nikkaji
- J1.918.140E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 275
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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