Basic information
- CAS
30805-25-5- Standard SMILES
CC(C)C1N=C(N)N=C(N)N1c1ccc(Cl)cc1- InChIKey
NEIHFQUJLSUWCY-UHFFFAOYSA-N- Molecular formula
- C12H16ClN5
- Average molar mass
- 265.74 g/mol
- Monoisotopic mass
- 265.1094232
Names & identifiers
- Preferred name
- 1-(4-chlorophenyl)-2-propan-2-yl-2H-1,3,5-triazine-4,6-diamine
- IUPAC
- 1-(4-chlorophenyl)-2-propan-2-yl-2H-1,3,5-triazine-4,6-diamine
Names & synonyms
CHEMBL2643921-(4-chlorophenyl)-2-propan-2-yl-2H-1,3,5-triazine-4,6-diamine30805-25-5DTXSID80275310BDBM500900651-(4-chlorophenyl)-6-(propan-2-yl)-1,6-dihydro-1,3,5-triazine-2,4-diamine1-(4-Chloro-phenyl)-6-isopropyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine
Database identifiers
- CAS
30805-25-5- PubChem CID
- 35511
- DTXSID
DTXSID80275310- ChEMBL
CHEMBL264392- Nikkaji
- J1.614.963B
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 357
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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