Basic information
- Standard SMILES
CN1CCN2c3c(cccc31)C1CNCCC12- InChIKey
QLGUCSLWLPCOTR-UHFFFAOYSA-N- Molecular formula
- C14H19N3
- Average molar mass
- 229.32 g/mol
Names & identifiers
- Preferred name
- 3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline
- IUPAC
- 4-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene
Names & synonyms
3-methyl-2,3,6b,7,8,9,10,10a-octahydro-1H-pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline313369-67-4SCHEMBL5507319SCHEMBL29360460QLGUCSLWLPCOTR-UHFFFAOYSA-N1H-Pyrido[3',4':4,5]pyrrolo[1,2,3-de]quinoxaline, 2,3,6b,7,8,9,10,10a-octahydro-3-methyl-, (6bR,10aS)-SB181774-methyl-1,4,12-triazatetracyclo[7.6.1.05,16.010,15]hexadeca-5,7,9(16)-triene(10R,15S)-4-methyl-1,4,12-triazatetracyclo[7.6.1.0,(1).0(1),(1)]hexadeca-5,7,9(16)-triene
Database identifiers
- PubChem CID
- 10176971
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
Related reactions
8 records
Compound notes
Loading…