Basic information
- CAS
70740-21-5- Standard SMILES
CC(=O)n1nnc2cc(C)c(C)cc21- InChIKey
CNGRVEKLDVZULJ-UHFFFAOYSA-N- Molecular formula
- C10H11N3O
- Average molar mass
- 189.21 g/mol
- Monoisotopic mass
- 189.09021198
Names & identifiers
- Preferred name
- 1-(5,6-Dimethyl-1h-benzotriazol-1-yl)ethanone
- IUPAC
- 1-(5,6-dimethylbenzotriazol-1-yl)ethanone
Names & synonyms
1-(5,6-dimethyl-1h-benzotriazol-1-yl)ethanone70740-21-5DTXSID20292440RefChem:225620DTXCID102435821-(5,6-Dimethyl-1H-benzo[d][1,2,3]triazol-1-yl)ethanoneNSC82628SCHEMBL199114501-(5,6-dimethyl-1H-1,2,3-benzotriazol-1-yl)ethan-1-oneNSC-82628
Database identifiers
- CAS
70740-21-5- PubChem CID
- 256192
- DTXSID
DTXSID20292440- Nikkaji
- J1.495.066D
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 47.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 244
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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