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.

56 compounds | Property MP: Melting point [°C]

IDNameMPDetails
000061-82-52H-1,2,4-triazol-3-amine i159View
000086-50-03-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i73View
000095-14-72H-Benzotriazole i100View
001031-47-62-bis(dimethylamino)phosphoryl-5-phenyl-1,2,4-triazol-3-amine i167.5View
002642-71-93-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one i53View
024017-47-8diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidenephosphorane i3.5View
041814-78-28-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole i187View
042509-80-8(5-chloro-1-propan-2-yl-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidenephosphorane i25View
043121-43-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one i82View
055179-31-23,3-dimethyl-1-(4-phenylphenoxy)-1-(1,2,4-triazol-1-yl)butan-2-ol i127View
055219-65-31-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i124View
060207-31-01-[[2-(2,4-dichlorophenyl)-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i112.6View
060207-90-11-[[2-(2,4-dichlorophenyl)-4-propyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i25View
060207-93-41-[[2-(2,4-dichlorophenyl)-4-ethyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i84View
066246-88-61-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole i58.5View
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 i168View
075736-33-31-(2,4-Dichlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pentan-3-ol i148View
076674-21-01-(2-fluorophenyl)-1-(4-fluorophenyl)-2-(1,2,4-triazol-1-yl)ethanol i130View
079983-71-42-(2,4-dichlorophenyl)-1-(1,2,4-triazol-1-yl)hexan-2-ol i111View
082200-72-4(1S,2S)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i133.5View
083657-17-4(E,3S)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol i153View
083657-22-1(E)-1-(4-chlorophenyl)-4,4-dimethyl-2-(1,2,4-triazol-1-yl)pent-1-en-3-ol i153View
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 i148.5View
086598-92-71-[(4-chlorophenyl)methylsulfanyl]-N-(2,4-dichlorophenyl)-2-(1,2,4-triazol-1-yl)ethanimine i90View
088671-89-02-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)hexanenitrile i65.5View
089482-17-7(1S,2R)-1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol i138.2View
094361-06-52-(4-chlorophenyl)-3-cyclopropyl-1-(1,2,4-triazol-1-yl)butan-2-ol i107.5View
098967-40-9N-(2,6-difluorophenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide i252View
103112-35-2ethyl 1-(2,4-dichlorophenyl)-5-(trichloromethyl)-1,2,4-triazole-3-carboxylate i110View
107534-96-31-(4-Chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol i102.4View
112143-82-5ethyl 2-[[5-tert-butyl-2-(dimethylcarbamoyl)-1,2,4-triazol-3-yl]sulfanyl]acetate i53View
112281-77-31-[2-(2,4-dichlorophenyl)-3-(1,1,2,2-tetrafluoroethoxy)propyl]-1,2,4-triazole i6View
114369-43-64-(4-chlorophenyl)-2-phenyl-2-(1,2,4-triazol-1-ylmethyl)butanenitrile i125View
116255-48-21-[[4-bromo-2-(2,4-dichlorophenyl)oxolan-2-yl]methyl]-1,2,4-triazole i84View
119126-15-71-[4-chloro-3-(2,2,3,3,3-pentafluoropropoxymethyl)phenyl]-5-phenyl-1,2,4-triazole-3-carboxamide i146View
119446-68-31-[[2-[2-chloro-4-(4-chlorophenoxy)phenyl]-4-methyl-1,3-dioxolan-2-yl]methyl]-1,2,4-triazole i76View
122836-35-5N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide i122View
125116-23-65-[(4-chlorophenyl)methyl]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i111.5View
125225-28-72-[(4-chlorophenyl)methyl]-5-propan-2-yl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i89View
125306-83-4N,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide i115View
131983-72-7(5Z)-5-[(4-chlorophenyl)methylidene]-2,2-dimethyl-1-(1,2,4-triazol-1-ylmethyl)cyclopentan-1-ol i140View
139528-85-1N-(2,6-dichloro-3-methylphenyl)-5,7-dimethoxy-[1,2,4]triazolo[1,5-a]pyrimidine-2-sulfonamide i211View
147150-35-4methyl 3-chloro-2-[(5-ethoxy-7-fluoro-[1,2,4]triazolo[5,1-f]pyrimidin-2-yl)sulfonylamino]benzoate i217View
001123-54-22H-triazolo[4,5-e]pyrimidin-7-amine i300View
001455-77-21H-1,2,4-Triazole-3,5-diamine i205View
002338-12-7N-hydroxy-2H-benzotriazol-5-amine oxide N-(2H-benzotriazol-5-yl)-N-oxidohydroxylamine 5-nitro-2H-benzotriazole i217View
002440-22-42-(benzotriazol-2-yl)-4-methylphenol i132View
006085-94-51-(phenylmethyl)-1,2,4-triazole i49View
013351-73-01-Methylbenzotriazole i64.5View
015421-84-8N,N-diethyl-5-methyl-[1,2,4]triazolo[5,1-b]pyrimidin-7-amine i100View
019794-93-52-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-[1,2,4]triazolo[4,5-a]pyridin-3-one i87View
029975-16-48-Chloro-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepine i228.5View
057801-81-72-bromo-4-(2-chlorophenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine i213View
059338-93-16-methoxy-N-[(1-prop-2-enylpyrrolidin-2-yl)methyl]-2H-benzotriazole-5-carboxamide i139View
066535-86-22-(4-chlorophenyl)-[1,2,4]triazolo[5,1-a]isoquinoline i239View
083366-66-92-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-5-ethyl-4-[2-(phenoxy)ethyl]-1,2,4-triazol-3-one i83.5View

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