Molecular Identity
Triadimenol
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
PubChem CID: 41368
Triadimenol is a member of the class of triazoles that is 3,3-dimethyl-1-(1,2,4-triazol-1-yl)butane-1,2-diol substituted at position O1 by a 4-chlorophenyl group. A fungicide for cereals, beet and brassicas used to control a range of diseases including powdery mildew, rusts, bunts and smuts. It has a role as a xenobiotic metabolite, an EC 1.14.13.70 (sterol 14alpha-demethylase) inhibitor and an antifungal agrochemical. It is a hemiaminal ether, an aromatic ether, a secondary alcohol, a member of monochlorobenzenes, a conazole fungicide and a triazole fungicide.
2D Structure
Properties
C14H18ClN3O2
Molecular Formula
295.76
Molecular Weight
g/mol
295.1088
Exact Mass
Da
3.1
XLogP
Drug-like (Lipinski: < 5)
60.2
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
4
H-Bond Acceptors
303
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)OIsomeric SMILES
SMILES: CC(C)(C)C(C(N1C=NC=N1)OC2=CC=C(C=C2)Cl)OSynonyms(20)
TRIADIMENOL55219-65-3BaytanBayfidanSpinnakerTriafolSummitTriapholBaytan 151-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-olTridan FungicideBayfrdan EWUK 199Baytan TF 3479BVydine
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Triadimenol
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