Molecule ID: 135408659

IUPAC Name: 4,6-bis(ethylamino)-1H-1,3,5-triazin-2-one

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 hydroxy group at position 2. It is a metabolite of the herbicide simazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a heteroaryl hydroxy compound.

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

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

InChI: InChI=1S/C7H13N5O/c1-3-8-5-10-6(9-4-2)12-7(13)11-5/h3-4H2,1-2H3,(H3,8,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 77.9 Ų
- LogP: -0.3