About 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol
2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol (PubChem CID 163859408) has the molecular formula C147H153F3N36O7
and a molecular weight of 2593.08 g/mol. Its IUPAC name is 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol.
Frequently Asked Questions
What is the IUPAC name of 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol (CID 163859408) is 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol is CC1(C)CC(=Cc2ncc(-c3cc(F)c(-n4cccn4)cc3O)nn2)CC(C)(C)N1.CC1(C)CC(=Cc2ncc(-c3ccc(-n4cccc4)cc3O)nn2)CC(C)(C)N1.CCc1cc(-c2ccc(-c3cnc(/C=C4\C[C@H]5CNC[C@H]5C4)nn3)c(O)c2)ccn1.Oc1cc(-n2cccc2)ccc1-c1cnc(/C=C2/CCCNCC2)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(/C=C2/CCNC2)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(/C=C2/CCNC3(CC3)C2)nn1.Oc1cc(-n2cccc2)ccc1-c1cnc(/C=C2\CCNCC2(F)F)nn1.
What is the InChIKey of 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol?
The InChIKey is PBECDVVQVKGOBB-QCAMIBGRSA-N. The full InChI is InChI=1S/C24H25N5O.C23H27N5O.C22H25FN6O.C21H21N5O.C20H21N5O.C19H17F2N5O.C18H17N5O/c1-2-20-10-17(5-6-26-20)16-3-4-21(23(30)11-16)22-14-27-24(29-28-22)9-15-7-18-12-25-13-19(18)8-15;1-22(2)13-16(14-23(3,4)27-22)11-21-24-15-19(25-26-21)18-8-7-17(12-20(18)29)28-9-5-6-10-28;1-21(2)11-14(12-22(3,4)28-21)8-20-24-13-17(26-27-20)15-9-16(23)18(10-19(15)30)29-7-5-6-25-29;27-19-12-16(26-9-1-2-10-26)3-4-17(19)18-14-22-20(25-24-18)11-15-5-8-23-21(13-15)6-7-21;26-19-13-16(25-10-1-2-11-25)5-6-17(19)18-14-22-20(24-23-18)12-15-4-3-8-21-9-7-15;20-19(21)12-22-6-5-13(19)9-18-23-11-16(24-25-18)15-4-3-14(10-17(15)27)26-7-1-2-8-26;24-17-10-14(23-7-1-2-8-23)3-4-15(17)16-12-20-18(22-21-16)9-13-5-6-19-11-13/h3-6,9-11,14,18-19,25,30H,2,7-8,12-13H2,1H3;5-12,15,27,29H,13-14H2,1-4H3;5-10,13,28,30H,11-12H2,1-4H3;1-4,9-12,14,23,27H,5-8,13H2;1-2,5-6,10-14,21,26H,3-4,7-9H2;1-4,7-11,22,27H,5-6,12H2;1-4,7-10,12,19,24H,5-6,11H2/b15-9-;;;15-11-;15-12-;13-9+;13-9-/t18-,19+;;;;;;/m1....../s1.
What are the key properties of 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol?
2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol has a molecular weight of 2593.08 g/mol, XLogP of 24.12, 22 rotatable bonds, 14 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ylidene]methyl]-1,2,4-triazin-6-yl]-5-(2-ethyl-4-pyridinyl)phenol;2-[3-[(Z)-4-azaspiro[2.5]octan-7-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(Z)-azepan-4-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;2-[3-[(E)-(3,3-difluoropiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;4-fluoro-5-pyrazol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol;2-[3-[(Z)-pyrrolidin-3-ylidenemethyl]-1,2,4-triazin-6-yl]-5-pyrrol-1-ylphenol;5-pyrrol-1-yl-2-[3-[(2,2,6,6-tetramethylpiperidin-4-ylidene)methyl]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 163859408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).