Molecule ID: 135398733

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

Description: The molecule is a monohydroxy-1,3,5-triazine that is atrazine in which the chloro group has been replaced by a hydroxy group. It has a role as a human xenobiotic metabolite and a marine xenobiotic metabolite. It is a diamino-1,3,5-triazine and a monohydroxy-1,3,5-triazine. It derives from an atrazine.

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

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

InChI: InChI=1S/C8H15N5O/c1-4-9-6-11-7(10-5(2)3)13-8(14)12-6/h5H,4H2,1-3H3,(H3,9,10,11,12,13,14)

Molecular Properties:
- Polar Surface Area: 77.9 Ų
- LogP: 0.1