chempirical

Lamotrigine

C9H7Cl2N5CAS 84057-84-1256.09 g/mol

Open in Covalent MOL file
HNNNClClNH2HN
Aryl halidePrimary amine

Properties

Molecular formula
C9H7Cl2N5
Molar mass
256.09 g/mol
Exact mass
255.0079 Da
Melting point
216–218 °C
logP
1.84Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Identifiers

CAS number
84057-84-1
SMILES
N=c1nnc(-c2cccc(Cl)c2Cl)c(N)[nH]1
InChIKey
PYZRQGJRPPTADH-UHFFFAOYSA-N
InChI
InChI=1S/C9H7Cl2N5/c10-5-3-1-2-4(6(5)11)7-8(12)14-9(13)16-15-7/h1-3H,(H4,12,13,14,16)

Weigh it out

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

Names and synonyms

13 names · show all
  • 1,2,4-Triazine-3,5-diamine, 6-(2,3-dichlorophenyl)-
  • 6-(2,3-Dichlorophenyl)-1,2,4-triazine-3,5-diamine
  • 3,5-Diamino-6-(2,3-dichlorophenyl)-1,2,4-triazine
  • Lamictal
  • Lamotrigin
  • BW 430C
  • LTG
  • Lamictal XR
  • Lamidus
  • Lamitrin
  • 3,5-Diamino-6-(2,3-dichlorophenyl)-as-triazine
  • Epilepax
  • Lamtox

Work with Lamotrigine

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

5-(2,3-Dichlorophenyl)-2H-tetrazole175205-12-640 % similar 2,3-Dichloroaniline608-27-535 % similar 1,2,3-Trichlorobenzene87-61-633 % similar Clofentezine74115-24-532 % similar Pyrimethamine58-14-030 % similar 2-(O-Chlorophenyl)-4,5-diphenylimidazole1707-67-130 % similar

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

Same formula

Irsogladine57381-26-7 2-[Cyano(2,3-dichlorophenyl)methylene]hydrazinecarboximidamide84689-20-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook