Lamotrigine
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 number | 84057-84-1 | ChEBI ↗ |
| Molecular formula | C9H7Cl2N5 | ChEBI ↗ |
| Molar mass | 256.096 g/mol | ChEBI ↗ |
| Monoisotopic mass | 255.00785 Da | ChEBI ↗ |
| Formal charge | 0 | ChEBI ↗ |
| ChEBI identifier | CHEBI:6367 | ChEBI ↗ |
Cross-source molecular data
PubChem| Molar mass | 256.09 g/mol | PubChem ↗ |
| Exact mass | 255.0078506 Da | PubChem ↗ |
| Computed XLogP | 1.4 | PubChem ↗ |
| Topological polar surface area (Ų) | 90.7 | PubChem ↗ |
| H-bond donors | 2 | PubChem ↗ |
| H-bond acceptors | 5 | PubChem ↗ |
| Rotatable bonds | 1 | PubChem ↗ |
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 identifierlamotrigine6-(2,3-dichlorophenyl)-1,2,4-triazine-3,5-diaminePYZRQGJRPPTADH-UHFFFAOYSA-NNc1nnc(-c2cccc(Cl)c2Cl)c(N)n1InChI=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
Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.
Classification & relationships
ChEBI ontologyRoles recorded in ChEBI
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 massUses 256.096 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.
Elemental composition
Theoretical mass fractionsCClNHCalculated 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 associationsSources & record history
Checked 27 Sep 2026Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0
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.