Compound: HEXAZINONE
SMILES: O=c1nc(n(C)c(n1C2CCCCC2)=O)N(C)C
InChIKey: CAWXEEYDBZRFPE-UHFFFAOYSA-N
Synonyms: HEXAZINONE, 51235-04-2, Velpar, 3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione, Brushkiller, Gridball, Velpar L, Velpar weed killer, Caswell No. 271AA, 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione, DPX 3674, DTXSID4024145, 1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-, EPA Pesticide Chemical Code 107201, SHA 107201, 3-Cyclohexyl-1-methyl-6-(dimethylamino)-s-trazine-2,4(1H,3H)-dione, Y51727MR1Y, DPX-3674, 3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione, DTXCID804145, RefChem:146293, 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione, Hexazinon, CHEBI:5705, Hexazinone 10 microg/mL in Acetonitrile, Hexazinone 100 microg/mL in Acetonitrile, s-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-, Hexazinone [ISO], Hexazinone [ANSI:BSI:ISO], CAS-51235-04-2, CCRIS 5273, HSDB 6670, EINECS 257-074-4, BRN 0618801, UNII-Y51727MR1Y, Hexazinone (Velpar), HEXAZINONE [MI], HEXAZINONE [HSDB], 3-Cyclohexyl-6-dimethylamino-1-methyl-1,2,3,4-tetrahydro-1,3,5-triazine-2,4-dione, SCHEMBL66377, 5-26-10-00171 (Beilstein Handbook Reference), orb1306493, CHEMBL2252598, HY-B1849, MSK22198, Tox21_201665, Tox21_300745, BDBM50487023, MFCD00055526, 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione, AKOS015914992, Hexazinone 1000 microg/mL in Toluene, NCGC00164460-01, NCGC00168317-01, NCGC00168317-02, NCGC00168317-03, NCGC00254651-01, NCGC00259214-01, AC-16229, BS-32507, FH178904, DB-051928, CS-0013917, H1686, NS00000457, Hexazinone, PESTANAL(R), analytical standard, A12586, Q408234, 1-methyl-3-cyclohexyl-6-dimethylamino-s-triazine-2,4(1H,3H)-dione, 3-Cyclohexy-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione
Theoretical properties:
molecular_formula: C12H20N4O2
molecular_weight: 252.31 g/mol
exact_mass: 252.15862589 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 0
hydrogen_bond_acceptor_count: 2
rotatable_bond_count: 2
heavy_atom_count: 18
topological_polar_surface_area: 56.2 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
physical_state: Crystals
color: Crystals
odor: Odorless
boiling_point: Decomposes
melting_point: 117.2 °C
density: Specific gravity = 1.25
solubility: In water, 3.3X10+4 mg/L at 25 °C
vapor_pressure: 0.000225 [mmHg]
Descriptions:
pubchem: Hexazinone is a member of 1,3,5-triazines.
chembl: HEXAZINONE is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: Hexazinone is an organic compound that is used as a broad spectrum herbicide.  It is a colorless solid.  It exhibits some solubility in water but is highly soluble in most organic solvents except alkanes.  A member of the triazine class herbicides, it is manufactured by DuPont and sold under the trade name Velpar.
It functions by inhibiting photosynthesis and thus is a nonselective herbicide.  It is used to control grasses, broadleaf, and woody plants. In the United States approximately 33% is used on alfalfa, 31% in forestry, 29% in industrial areas, 4% on rangeland and pastures, and < 2% on sugarcane.
Hexazinone's HRAC classification is Group C1, Group C (global, Aus), Group 5 (numeric), as it inhibits photosynthesis at photosystem II.
Hexazinone is a pervasive groundwater contaminant. Use of hexazinone causes groundwater to be at high risk of contamination due to the high leaching potential it exhibits.