Molecule ID: 13878

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

Description: The molecule is a diamino-1,3,5-triazine that is N-ethyl-1,3,5-triazine-2,4-diamine substituted by a chloro group at position 6. It has a role as a bacterial xenobiotic metabolite and a marine xenobiotic metabolite. It is a chloro-1,3,5-triazine and a diamino-1,3,5-triazine. It derives from a 6-chloro-1,3,5-triazine-2,4-diamine.

SMILES: CCN=c1[nH]c(Cl)nc(=N)[nH]1

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

InChI: InChI=1S/C5H8ClN5/c1-2-8-5-10-3(6)9-4(7)11-5/h2H2,1H3,(H3,7,8,9,10,11)

Molecular Properties:
- Polar Surface Area: 76.7 Ų
- LogP: 1.1