Molecule ID: 135510207

IUPAC Name: 6-amino-4-(propan-2-ylamino)-1H-1,3,5-triazin-2-one

Description: The molecule is a diamino-1,3,5-triazine that is N-(propan-2-yl)-1,3,5-triazine-2,4-diamine substituted by a hydroxy group at position 2. It is a metabolite of the herbicide atrazine. It has a role as a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a heteroaryl hydroxy compound.

SMILES: CC(C)N=c1[nH]c(O)nc(=N)[nH]1

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

InChI: InChI=1S/C6H11N5O/c1-3(2)8-5-9-4(7)10-6(12)11-5/h3H,1-2H3,(H4,7,8,9,10,11,12)

Molecular Properties:
- Polar Surface Area: 91.9 Ų
- LogP: -0.6