Molecule ID: 135612794

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

Description: The molecule is a diamino-1,3,5-triazine that is 1,3,5-triazin-2-ol substituted by an amino group at position 4 and a tert-butylamino group at position 6. It is metabolite of the herbicide terbutylazine. 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)(C)Nc1nc(=N)nc(O)[nH]1

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

InChI: InChI=1S/C7H13N5O/c1-7(2,3)12-5-9-4(8)10-6(13)11-5/h1-3H3,(H4,8,9,10,11,12,13)

Molecular Properties:
- Polar Surface Area: 91.9 Ų
- LogP: -0.4