3-phenyl-5,8-dihydro-6,6,8-trimethyl-5,8-ethano-6H-pyrano [4,3-e]-as-triazine-4-oxide

HCID 23337017

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

Related reactions

4 records

Compound notes

Loading…