10967/127 - QDB Compounds

QsarDB Repository

Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Res. 2011, 45, 3, 1463–1471.

64 compounds | Property logKow: Octanol/water partition coefficient as logKow

IDNamelogKowDetails
000061-82-52H-1,2,4-triazol-3-amine i-0.86View
000086-50-03-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i2.75View
000095-14-72H-Benzotriazole i1.44View
000134-58-75-amino-2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one i-0.71View
002642-71-93-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i3.4View
024017-47-8diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane i3.34View
041083-11-8tricyclohexyl-(1,2,4-triazol-1-yl)stannane i5.3View
041814-78-28-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole i1.7View
042509-80-8(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane i3.82View
043121-43-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one i2.77View
055179-31-23,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol i4.16View
055219-65-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i2.9View
060207-31-01-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i2.32View
060207-90-11-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i3.72View
060207-93-41-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i3.1View
075736-33-31-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol i3.8View
076674-21-01-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol i2.29View
079983-71-42-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol i3.9View
082200-72-4(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i3.28View
083657-22-1(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol i3.67View
083657-24-31-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol(E)-1-(2,4-dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol i4.3View
086598-92-71-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine i4.94View
088671-89-02-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile i2.94View
089482-17-7(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i3.08View
094361-06-52-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol i2.9View
107534-96-31-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol i3.7View
112143-82-5ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate i2.69View
112281-77-31-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole i3.56View
114369-43-64-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile i3.23View
116255-48-21-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole i3.24View
119446-68-31-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i4.3View
122836-35-5N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide i0.99View
125116-23-65-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i3.85View
125225-28-72-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i4.21View
125306-83-4N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide i3.21View
128639-02-1ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate i3.36View
129586-32-91-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol i3.02View
131983-72-7(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i3.29View
139528-85-1N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide i3.08View
000273-02-92H-Benzotriazole i1.44View
000288-36-82H-triazole i-0.29View
000288-88-01H-1,2,4-Triazole i-0.58View
000938-56-72-(benzotriazol-1-yl)ethanol i0.5View
001123-54-22H-triazolo[4,5-e]pyrimidin-7-amine i-0.96View
001455-77-21H-1,2,4-Triazole-3,5-diamine i-1.61View
001680-44-04-phenyl-2H-triazole i1.91View
002338-12-7N-hydroxy-2H-benzotriazol-5-amine oxide N-(2H-benzotriazol-5-yl)-N-oxidohydroxylamine 5-nitro-2H-benzotriazole i1.95View
002440-22-42-(benzotriazol-2-yl)-4-methylphenol i4.31View
002683-90-12,3-dihydrotriazolo[4,5-e]pyrimidin-7-one i-1.97View
003357-42-43-phenyl-2H-1,2,4-triazole i1.54View
004368-68-71-(phenylmethyl)triazole i1.27View
006085-94-51-(phenylmethyl)-1,2,4-triazole i0.92View
007411-23-63,5-dibromo-1H-1,2,4-triazole i2.24View
013351-73-01-Methylbenzotriazole i1.13View
016584-05-71-Ethylbenzotriazole i1.58View
026621-45-41-Methyl-3-nitro-1,2,4-triazole i-0.68View
028911-01-58-chloro-6-(2-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine i2.42View
028981-97-78-chloro-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine i2.12View
036791-04-51-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1,2,4-triazole-3-carboxamide i-1.85View
057801-81-72-bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine i2.79View
059338-93-16-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide i1.79View
069141-50-0(5S,6S)-6-hydroxy-2,2,7,7-tetramethyl-5-(1,2,4-triazol-1-yl)octan-3-one i1.95View
077314-77-34-(5-amino-2H-1,2,4-triazol-3-yl)-N-ethylpyridin-2-amine i1.13View
104958-85-2N-(2-Hydroxyethyl)-2-(3-nitro-1,2,4-triazol-1-yl)acetamide i-1.59View

Bibliography

  1. Bhhatarai, B.; Gramatica, P. Modelling physico-chemical properties of (benzo)triazoles, and screening for environmental partitioning. Water Research 2011, 45, 1463–1471. http://dx.doi.org/10.1016/j.watres.2010.11.006