Molecule ID: 135495928

IUPAC Name: 6-(tert-butylamino)-4-(ethylamino)-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 a tert-butylamino group at position 4 and an ethylamino group at position 6. It is a 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: CCN=c1nc(O)[nH]c(NC(C)(C)C)n1

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

InChI: InChI=1S/C9H17N5O/c1-5-10-6-11-7(13-8(15)12-6)14-9(2,3)4/h5H2,1-4H3,(H3,10,11,12,13,14,15)

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