IUPAC name
N-[2-(3,5-dimethylphenoxy)-1-methylethyl]-6-(1-fluoro-1-methylethyl)-1,3,5-triazine-2,4-diamine
SMILES
Cc1cc(C)cc(c1)OCC(C)N=c1[nH]c(C(C)(C)F)nc(=N)[nH]1
Compound class
Herbicide
Therapeutic area
Herbicide
Common name
triaziflam
IUPAC name
N-[2-(3,5-dimethylphenoxy)-1-methylethyl]-6-(1-fluoro-1-methylethyl)-1,3,5-triazine-2,4-diamine
SMILES
Cc1cc(C)cc(c1)OCC(C)N=c1[nH]c(C(C)(C)F)nc(=N)[nH]1
INCHI
InChI=1S/C17H24FN5O/c1-10-6-11(2)8-13(7-10)24-9-12(3)20-16-22-14(17(4,5)18)21-15(19)23-16/h6-8,12H,9H2,1-5H3,(H3,19,20,21,22,23)
FORMULA
C17H24FN5O
Common name
triaziflam
IUPAC name
N-[2-(3,5-dimethylphenoxy)-1-methylethyl]-6-(1-fluoro-1-methylethyl)-1,3,5-triazine-2,4-diamine
Molecular weight
333.404
clogP
5.141
clogS
-5.876
HBond Acceptor
3
HBond Donor
3
Total Polar Surface Area
89.91
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00502 | m-xylene |
|
c1c(cccc1C)C | 0.0144 |
| FDBF01509 | 3,5-dimethylphenol |
|
c1(cc(cc(c1)C)C)O | 0.0007 |
| FDBF01510 | 1-methoxy-3,5-dimethyl-benzene |
|
COc1cc(cc(c1)C)C | 0.0007 |
| FDBF06639 | 2-fluoropropane |
|
C(F)(C)C | 0.0003 |
6 ,
1
