Molecule ID: 30773

IUPAC Name: 2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile

Description: The molecule is a chloro-1,3,5-triazine that is 2-chloro-1,3,5-triazine substituted by an ethyl amino and a (2-cyanopropan-2-yl)amino group at positions 6 and 4 respectively. It has a role as a herbicide, an environmental contaminant and a xenobiotic. It is a 1,3,5-triazinylamino nitrile and a chloro-1,3,5-triazine.

SMILES: CCN=c1nc(Cl)nc(NC(C)(C)C#N)[nH]1

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

InChI: InChI=1S/C9H13ClN6/c1-4-12-7-13-6(10)14-8(15-7)16-9(2,3)5-11/h4H2,1-3H3,(H2,12,13,14,15,16)

Molecular Properties:
- Polar Surface Area: 86.5 Ų
- LogP: 2.2