Molecule ID: 153920

IUPAC Name: 4-amino-N-tert-butyl-5-oxo-3-propan-2-yl-1,2,4-triazole-1-carboxamide

Description: The molecule is a member of the class of triazoles that is 4,5-dihydro-1H-1,2,4-triazol-5-one which is substituted at position 1 by a tert-butylaminocarbonyl group and at position 3 by an isopropyl group. A selective herbicide for pre- and post-emergence control of annual dicotyledonous weeds and grasses, it is not approved for use within the European Union. It has a role as a herbicide. It is a member of triazoles and a carbohydrazide.

SMILES: CC(C)c1nn(C(O)=NC(C)(C)C)c(=O)n1N

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

InChI: InChI=1S/C10H19N5O2/c1-6(2)7-13-15(9(17)14(7)11)8(16)12-10(3,4)5/h6H,11H2,1-5H3,(H,12,16)

Molecular Properties:
- Polar Surface Area: 91.0 Ų
- LogP: 1.0