Basic information
- CAS
27431-19-2- Standard SMILES
CNc1nc(N)nc(C(Cl)(Cl)Cl)n1- InChIKey
XOFYPUQJNDXJRM-UHFFFAOYSA-N- Molecular formula
- C5H6Cl3N5
- Average molar mass
- 242.5 g/mol
- Monoisotopic mass
- 240.968878
Names & identifiers
- Preferred name
- 2-N-methyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
- IUPAC
- 2-N-methyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
2-N-methyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine27431-19-2DTXSID80275077N~2~-Methyl-6-(trichloromethyl)-1,3,5-triazine-2,4-diamine
Database identifiers
- CAS
27431-19-2- PubChem CID
- 33838
- DTXSID
DTXSID80275077- Nikkaji
- J1.612.166E
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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