Molecule ID: 5310966

IUPAC Name: (1S,12R)-5,8,14-triazatetracyclo[10.3.1.02,11.04,9]hexadeca-2,4,6,8,10-pentaene

Description: The molecule is an organic heterotetracyclic compound that acts as a partial agonist for nicotinic cholinergic receptors and is used (in the form of its tartate salt) as an aid to giving up smoking. It has a role as a nicotinic acetylcholine receptor agonist and a serotonergic agonist. It is a secondary amino compound, an organic heterotetracyclic compound and a bridged compound. It is a conjugate base of a varenicline(1+).

SMILES: c1cnc2cc3c(cc2n1)[C@@H]1CNC[C@H]3C1

SELFIES: [C][=C][N][=C][C][=C][C][=Branch1][Branch2][=C][C][Ring1][=Branch1][=N][Ring1][#Branch2][C@@H1][C][N][C][C@H1][Ring1][#Branch2][C][Ring1][=Branch1]

InChI: InChI=1S/C13H13N3/c1-2-16-13-5-11-9-3-8(6-14-7-9)10(11)4-12(13)15-1/h1-2,4-5,8-9,14H,3,6-7H2/t8-,9+

Molecular Properties:
- Polar Surface Area: 37.8 Ų
- LogP: 0.8