1-Methyl-1,2,3-benzotriazin-4(1H)-one
Basic information
- CAS
22305-45-9- Standard SMILES
Cn1nnc(=O)c2ccccc21- InChIKey
XTVBHNXTHITNFZ-UHFFFAOYSA-N- Molecular formula
- C8H7N3O
- Average molar mass
- 161.16 g/mol
- Monoisotopic mass
- 161.05891186
Names & identifiers
- Preferred name
- 1-Methyl-1,2,3-benzotriazin-4(1H)-one
- IUPAC
- 1-methyl-1,2,3-benzotriazin-4-one
Names & synonyms
1-Methyl-1,2,3-benzotriazin-4(1H)-one22305-45-9DTXSID40554951RefChem:231425DTXCID70505734
Database identifiers
- CAS
22305-45-9- PubChem CID
- 14045232
- DTXSID
DTXSID40554951
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 45 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 226
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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