Molecule ID: 5216

IUPAC Name: 6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

Description: The molecule is a diamino-1,3,5-triazine that is N,N'-diethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has a role as a herbicide, a xenobiotic and an environmental contaminant. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine.

SMILES: CCN=c1nc(Cl)[nH]c(=NCC)[nH]1

SELFIES: [C][C][N][=C][N][=C][Branch1][C][Cl][NH1][C][=Branch1][Ring2][=N][C][C][NH1][Ring1][#Branch2]

InChI: InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 62.7 Ų
- LogP: 2.2