IUPAC name
ethyl 2-[[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]acetate
SMILES
CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
triazamate
IUPAC name
ethyl 2-[[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]acetate
SMILES
CCOC(=O)CSc1nc(C(C)(C)C)nn1C(=O)N(C)C
INCHI
InChI=1S/C13H22N4O3S/c1-7-20-9(18)8-21-11-14-10(13(2,3)4)15-17(11)12(19)16(5)6/h7-8H2,1-6H3
FORMULA
C13H22N4O3S
Common name
triazamate
IUPAC name
ethyl 2-[[1-[(dimethylamino)carbonyl]-3-(1,1-dimethylethyl)-1H-1,2,4-triazol-5-yl]thio]acetate
Molecular weight
314.404
clogP
0.905
clogS
-2.287
HBond Acceptor
5
HBond Donor
0
Total Polar Surface Area
102.62
Number of Rings
1
Rotatable Bond
8
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00100 | ethyl formate |
|
O(C=O)CC | 0.0244 |
| FDBF00103 | ethyl acetate |
|
O(C(=O)C)CC | 0.0127 |
| FDBF05548 | 3-tert-butyl-N,N-dimethyl-BLAHcyclopenta-2,4-diene-1-carboxamide |
|
C(C)(C)(C)C1=NN(C=N1)C(=O)N(C)C | 0.0003 |
| FDBF05549 | N,N-dimethyl-BLAHcyclopenta-2,4-diene-1-carboxamide |
|
C1=NC=NN1C(=O)N(C)C | 0.0003 |
5 ,
1
