chempirical

Varenicline

C13H13N3CAS 249296-44-4211.27 g/mol

Open in Covalent MOL file
NNNH
Secondary amine

Properties

Molecular formula
C13H13N3
Molar mass
211.27 g/mol
Exact mass
211.1109 Da
Melting point
138.5 °C
logP
1.80Crippen estimate
Polar surface area
37.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
249296-44-4
SMILES
c1cnc2cc3c(cc2n1)C1CNCC3C1
InChIKey
JQSHBVHOMNKWFT-UHFFFAOYSA-N
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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

5 names
  • 6,10-Methano-6H-pyrazino[2,3-h][3]benzazepine, 7,8,9,10-tetrahydro-
  • 7,8,9,10-Tetrahydro-6,10-methano-6H-pyrazino[2,3-h][3]benzazepine
  • CP 526555
  • Chantix
  • Champix

Work with Varenicline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Varenicline tartrate375815-87-565 % similar 2,3,4,5-Tetrahydro-1H-1,5-methanobenzo[d]azepine hydrochloride230615-52-844 % similar 2,2,2-Trifluoro-1-(6,7,9,10-tetrahydro-6,10-methano-8H-pyrazino[2,3-H][3]benzazepin-8-yl)ethanone230615-70-043 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Diphenylguanidine102-06-7

Elsewhere

PubChem CAS Common Chemistry NIST WebBook