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.

49 compounds | Property logWS: Aqueous solubility as logWS [mg/L]

IDNamelogWSDetails
000061-82-52H-1,2,4-triazol-3-amine i5.447View
000086-50-03-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i1.32View
000095-14-72H-Benzotriazole i4.297View
000134-58-75-amino-2,3-dihydrotriazolo[4,5-e]pyrimidin-7-one i4.167View
000273-40-52H-triazolo[4,5-d]pyrimidine i4.851View
001031-47-62-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine i2.398View
002642-71-93-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i1.021View
014500-23-34-Methyl-1-phenyl-1,2,4-triazolidine-3,5-dione i2.301View
024017-47-8diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane i1.591View
041083-11-8tricyclohexyl-(1,2,4-triazol-1-yl)stannane i-0.921View
041814-78-28-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole i3.204View
042509-80-8(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane i1.839View
043121-43-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one i1.854View
055179-31-23,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol i0.699View
055219-65-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i2.079View
060207-31-01-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i2.477View
060207-90-11-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i2.041View
060207-93-41-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i1.903View
066246-88-61-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole i1.863View
068049-83-22-(2,4-dichloro-5-prop-2-ynoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,5-a]pyridin-3-one i1.204View
075736-33-31-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol i0.954View
076674-21-01-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol i2.114View
079983-71-42-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol i1.23View
082200-72-4(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i1.519View
083657-17-4(E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol i0.925View
083657-22-1(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol i0.925View
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 i0.602View
086598-92-71-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine i0.23View
088671-89-02-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile i2.152View
089482-17-7(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i1.792View
094361-06-52-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol i2.146View
098967-40-9N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide i1.69View
103112-35-2ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate i-0.046View
107534-96-31-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol i1.556View
112143-82-5ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate i2.636View
112281-77-31-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole i2.193View
114369-43-64-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile i-0.699View
116255-48-21-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole i1.699View
119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide i0View
119446-68-31-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i1.176View
122836-35-5N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide i2.892View
125116-23-65-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i1.176View
125225-28-72-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i0.841View
125306-83-4N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide i0.398View
128639-02-1ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate i1.342View
129586-32-91-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)cycloheptan-1-ol i2.097View
131983-72-7(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i0.845View
139528-85-1N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide i2.301View
147150-35-4methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[5,1-f]pyrimidin-2-yl)sulfonylamino]benzoate i1.2View

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