Basic information
- CAS
30589-43-6- Standard SMILES
C1=CN2CC(c3ccccc3)=NNC2c2ccccc21- InChIKey
AXAVOSUPXFDBOY-UHFFFAOYSA-N- Molecular formula
- C17H15N3
- Average molar mass
- 261.32 g/mol
- Monoisotopic mass
- 261.12659749
Names & identifiers
- Preferred name
- 3-Phenyl-1,11b-dihydro-4h-[1,2,4]triazino[3,4-a]isoquinoline
- IUPAC
- 3-phenyl-4,11b-dihydro-1H-[1,2,4]triazino[3,4-a]isoquinoline
Names & synonyms
30589-43-63-phenyl-1,11b-dihydro-4h-[1,2,4]triazino[3,4-a]isoquinolineNSC153622DTXSID20302790NSC-153622
Database identifiers
- CAS
30589-43-6- PubChem CID
- 290347
- DTXSID
DTXSID20302790
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 27.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 408
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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