Basic information
- Standard SMILES
CC12CCC(c3c1nnc(-c1ccccc1)[n+]3[O-])C(C)(C)O2- InChIKey
QUBMKXLXAFPRMG-UHFFFAOYSA-N- Molecular formula
- C17H19N3O2
- Average molar mass
- 297.35 g/mol
Names & identifiers
- Preferred name
- 3-phenyl-5,8-dihydro-6,6,8-trimethyl-5,8-ethano-6H-pyrano [4,3-e]-as-triazine-4-oxide
- IUPAC
- 1,9,9-trimethyl-6-oxido-5-phenyl-10-oxa-3,4-diaza-6-azoniatricyclo[6.2.2.02,7]dodeca-2(7),3,5-triene
Names & synonyms
SCHEMBL11447530QUBMKXLXAFPRMG-UHFFFAOYSA-N3-phenyl-5,8-dihydro-6,6,8-trimethyl-5,8-ethano-6H-pyrano [4,3-e]-as-triazine-4-oxide3-phenyl-5,8-dihydro-6,6,8-trimethyl-5,8-ethano-6H-pyrano[4,3-e]-as-triazine-4-oxide
Database identifiers
- PubChem CID
- 23337017
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 438
Related reactions
4 records
Compound notes
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