Basic information
- CAS
116366-85-9- Standard SMILES
CC(Nc1nc(N)nc(Cl)n1)c1ccccc1- InChIKey
SVUKAHUVEXRAAR-UHFFFAOYSA-N- Molecular formula
- C11H12ClN5
- Average molar mass
- 249.7 g/mol
- Monoisotopic mass
- 249.0781231
Names & identifiers
- Preferred name
- 1,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-phenylethyl)-
- IUPAC
- 6-chloro-2-N-(1-phenylethyl)-1,3,5-triazine-2,4-diamine
Names & synonyms
116366-85-9DTXSID109220221,3,5-Triazine-2,4-diamine, 6-chloro-N-(1-phenylethyl)-AKOS0193388486-Chloro-N~2~-(1-phenylethyl)-1,3,5-triazine-2,4(1H,3H)-diimine
Database identifiers
- CAS
116366-85-9- PubChem CID
- 189396
- DTXSID
DTXSID10922022
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 76.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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