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Chemical substance record

Lamotrigine

84057-84-1C9H7Cl2N5256.096 g/mol

A member of the class of 1,2,4-triazines in which the triazene skeleton is substituted by amino groups at positions 3 and 5, and by a 2,3-dichlorophenyl group at position 6. — ChEBI

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Identity & molecular properties

Source-linked values
CAS number84057-84-1ChEBI ↗
Molecular formulaC9H7Cl2N5ChEBI ↗
Molar mass256.096 g/molChEBI ↗
Monoisotopic mass255.00785 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:6367ChEBI ↗

Cross-source molecular data

PubChem
Molar mass256.09 g/molPubChem ↗
Exact mass255.0078506 DaPubChem ↗
Computed XLogP1.4PubChem ↗
Topological polar surface area (Ų)90.7PubChem ↗
H-bond donors2PubChem ↗
H-bond acceptors5PubChem ↗
Rotatable bonds1PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
lamotrigine
6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamine
PYZRQGJRPPTADH-UHFFFAOYSA-N
Nc1nnc(-c2cccc(Cl)c2Cl)c(N)n1
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)

Names & synonyms

6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diamineLamictallamotriginalamotriginum

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology

Roles recorded in ChEBI

geroprotectorantidepressantanxiolytic drugantipsychotic agentantimanic druganalgesicnon-narcotic analgesicanticonvulsantxenobioticimmunosuppressive agent

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00390479 mol

Uses 256.096 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 9 atoms
42.21%
Cl
Chlorine · 2 atoms
27.69%
N
Nitrogen · 5 atoms
27.35%
H
Hydrogen · 7 atoms
2.76%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations

Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:6367

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 3878 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.