IUPAC name
6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-1,2,4-triazin-5(4H)-one
SMILES
CC(C)C=Nn1c(=O)c(C(C)(C)C)nnc1SC
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
isomethiozin
IUPAC name
6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-1,2,4-triazin-5(4H)-one
SMILES
CC(C)C=Nn1c(=O)c(C(C)(C)C)nnc1SC
INCHI
InChI=1S/C12H20N4OS/c1-8(2)7-13-16-10(17)9(12(3,4)5)14-15-11(16)18-6/h7-8H,1-6H3
FORMULA
C12H20N4OS
Common name
isomethiozin
IUPAC name
6-(1,1-dimethylethyl)-4-[(2-methylpropylidene)amino]-3-(methylthio)-1,2,4-triazin-5(4H)-one
Molecular weight
268.378
clogP
2.580
clogS
-2.988
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
85.44
Number of Rings
1
Rotatable Bond
4
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF04560 | 2-methylpropan-1-imine |
|
C(=N)C(C)C | 0.0014 |
| FDBF06241 | 6-(tert-butyl)-5-oxo-4,5-dihydro-1,2,4-triazin-2-ium |
|
CC(C)(C)C1=NN=CNC1=O | 0.0003 |
| FDBF06242 | 5-oxo-4,5-dihydro-1,2,4-triazin-2-ium |
|
O=C1NC=NN=C1 | 0.0003 |
5 ,
1
