Basic information
- CAS
30805-24-4- Standard SMILES
CC1N=C(N)N=C(N)N1c1ccc(Cl)cc1- InChIKey
WHWDLTBBQLJYCJ-UHFFFAOYSA-N- Molecular formula
- C10H12ClN5
- Average molar mass
- 237.69 g/mol
- Monoisotopic mass
- 237.0781231
Names & identifiers
- Preferred name
- 1-(4-Chlorophenyl)-6-methyl-1,6-dihydro-1,3,5-triazine-2,4-diamine
- IUPAC
- 1-(4-chlorophenyl)-2-methyl-2H-1,3,5-triazine-4,6-diamine
Names & synonyms
CHEMBL93484DTXSID3013522591-(4-chlorophenyl)-6-methyl-1,6-dihydro-1,3,5-triazine-2,4-diamineBDBM500900761-(4-Chloro-phenyl)-6-methyl-1,6-dihydro-[1,3,5]triazine-2,4-diamine30805-24-4
Database identifiers
- CAS
30805-24-4- PubChem CID
- 35510
- DTXSID
DTXSID301352259- ChEMBL
CHEMBL93484- Nikkaji
- J1.381.924F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 319
Experimental & physicochemical properties
LogP0.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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