Lamotrigine

C9H7Cl2N5CAS 84057-84-1256.09 g/mol

HNNNClClNH2HN
Aryl halidePrimary amine

Properties

Molecular formula
C9H7Cl2N5
Molar mass
256.09 g/mol
Exact mass
255.0079 Da
Melting point
216–218 °C
pKa
5.7
Water solubility
170 mg/L (25 °C)
logP
1.84Crippen estimate
Polar surface area
91.4 Ų
H-bond donors / acceptors
3 / 4
Rotatable bonds
1

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 68 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P301+P316, P321, P330, P405, P501

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)

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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

Similar compounds

Tanimoto similarity of circular fingerprints over the whole catalogue.

Same formula

Elsewhere