IUPAC name
α-(4-chlorophenyl)-α-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol
SMILES
CC(C1CC1)C(Cn1cncn1)(c1ccc(cc1)Cl)O
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
cyproconazole
IUPAC name
α-(4-chlorophenyl)-α-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol
SMILES
CC(C1CC1)C(Cn1cncn1)(c1ccc(cc1)Cl)O
INCHI
InChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
FORMULA
C15H18ClN3O
Common name
cyproconazole
IUPAC name
α-(4-chlorophenyl)-α-(1-cyclopropylethyl)-1H-1,2,4-triazole-1-ethanol
Molecular weight
291.776
clogP
2.696
clogS
-3.169
HBond Acceptor
3
HBond Donor
1
Total Polar Surface Area
50.94
Number of Rings
3
Rotatable Bond
5
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00018 | propan-1-ol |
|
C(O)CC | 0.0330 |
| FDBF00154 | (2S)-butan-2-ol |
|
CC(O)CC | 0.0034 |
| FDBF06912 | (S)-1-(4-chlorophenyl)propan-1-ol |
|
CC[C@H](O)c1ccc(cc1)Cl | 0.0003 |
| FDBF06913 | (2S,3S)-3-cyclopropylbutan-2-ol |
|
C[C@@H]([C@@H](C)C1CC1)O | 0.0003 |
8 ,
1
