IUPAC name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
SMILES
CC(C)(C)C(=O)C(n1cncn1)Oc1ccc(cc1)Cl
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
triadimefon
IUPAC name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
SMILES
CC(C)(C)C(=O)C(n1cncn1)Oc1ccc(cc1)Cl
INCHI
InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
FORMULA
C14H16ClN3O2
Common name
triadimefon
IUPAC name
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone
Molecular weight
293.749
clogP
2.276
clogS
-3.202
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
57.01
Number of Rings
2
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00012 | isobutane |
|
C(C)(C)C | 0.0611 |
| FDBF00204 | 2-hydroxyacetaldehyde |
|
O=CCO | 0.0103 |
| FDBF01437 | 4-chlorophenol |
|
Oc1ccc(cc1)Cl | 0.0072 |
| FDBF01913 | 1-chloro-4-methoxy-benzene |
|
O(c1ccc(cc1)Cl)C | 0.0021 |
| FDBF06864 | pivalaldehyde |
|
C(=O)C(C)(C)C | 0.0007 |
| FDBF06873 | 1-hydroxy-3,3-dimethylbutan-2-one |
|
C(C(=O)C(C)(C)C)O | 0.0007 |
| FDBF06875 | 2-(4-chlorophenoxy)acetaldehyde |
|
C(C=O)Oc1ccc(cc1)Cl | 0.0007 |
16 ,
2
