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.

33 compounds | Property logVP: Vapour pressure as logVP [mm Hg]

IDNamelogVPDetails
000061-82-52H-1,2,4-triazol-3-amine i-6.36View
000086-50-03-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i-5.8View
002642-71-93-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i-5.62View
024017-47-8diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane i-5.54View
041814-78-28-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole i-6.7View
042509-80-8(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane i-4.06View
043121-43-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one i-7.82View
055219-65-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i-9.51View
060207-31-01-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i-7.19View
060207-90-11-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i-6View
066246-88-61-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole i-5.56View
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 i-11.12View
076674-21-01-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol i-10.27View
079983-71-42-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol i-6.87View
082200-72-4(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i-8.52View
086598-92-71-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine i-9.2View
088671-89-02-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile i-5.8View
089482-17-7(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i-8.35View
094361-06-52-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol i-6.59View
098967-40-9N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide i-11.56View
103112-35-2ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate i-8.18View
107534-96-31-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol i-7.89View
112143-82-5ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate i-6.92View
112281-77-31-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole i-5.87View
114369-43-64-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile i-7.43View
116255-48-21-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole i-7.52View
119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide i-6.82View
119446-68-31-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i-9.6View
122836-35-5N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide i-9.01View
125116-23-65-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i-7.03View
125225-28-72-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i-7.4View
125306-83-4N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide i-10.65View
128639-02-1ethyl 2-chloro-3-[2-chloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]-4-fluorophenyl]propanoate i-6.92View

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