About 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine
4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine (PubChem CID 161391054) has the molecular formula C147H142F8N32O9S
and a molecular weight of 2685.02 g/mol. Its IUPAC name is 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine.
Frequently Asked Questions
What is the IUPAC name of 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine?
The IUPAC name of 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine (CID 161391054) is 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine.
What is the SMILES notation for 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine?
The canonical SMILES for 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine is CCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c(OC)c2)=NCCN1c1cc(F)c(F)c(F)c1.CCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c3c2CC3)=NC(=O)CN1c1ccc(F)cc1.CCCN1C(/C=C/c2ccc(-n3cnc(C)c3)c3c2OCO3)=NCC(=O)N1c1ccc(F)cc1.COCCCn1c(/C=C/c2ccc(-n3cnc(C)c3)c3c2CCO3)nc(=O)n1-c1ccc(F)cc1.Cc1cn(-c2ccc(/C=C/C3=NCCN(c4ccc(F)cc4)N3)c3cnoc23)cn1.Cc1cn(-c2ccc(/C=C/C3=NCCN(c4ccc(F)cc4)N3C)c3cnsc23)cn1.
What is the InChIKey of 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine?
The InChIKey is VSZLFARGTSOFON-TYCSZQEGSA-N. The full InChI is InChI=1S/C26H26FN5O3.C26H26FN5O.C25H26F3N5O.C25H24FN5O3.C23H21FN6S.C22H19FN6O/c1-18-16-30(17-28-18)23-10-4-19(22-12-15-35-25(22)23)5-11-24-29-26(33)32(31(24)13-3-14-34-2)21-8-6-20(27)7-9-21;1-3-14-31-25(29-26(33)16-32(31)21-8-6-20(27)7-9-21)13-5-19-4-12-24(23-11-10-22(19)23)30-15-18(2)28-17-30;1-4-10-33-24(29-9-11-32(33)19-13-20(26)25(28)21(27)14-19)8-6-18-5-7-22(23(12-18)34-3)31-15-17(2)30-16-31;1-3-12-30-22(27-13-23(32)31(30)20-8-6-19(26)7-9-20)11-5-18-4-10-21(25-24(18)33-16-34-25)29-14-17(2)28-15-29;1-16-14-29(15-26-16)21-9-3-17(20-13-27-31-23(20)21)4-10-22-25-11-12-30(28(22)2)19-7-5-18(24)6-8-19;1-15-13-28(14-25-15)20-8-2-16(19-12-26-30-22(19)20)3-9-21-24-10-11-29(27-21)18-6-4-17(23)5-7-18/h4-11,16-17H,3,12-15H2,1-2H3;4-9,12-13,15,17H,3,10-11,14,16H2,1-2H3;5-8,12-16H,4,9-11H2,1-3H3;4-11,14-15H,3,12-13,16H2,1-2H3;3-10,13-15H,11-12H2,1-2H3;2-9,12-14H,10-11H2,1H3,(H,24,27)/b11-5+;13-5+;8-6+;11-5+;10-4+;9-3+.
What are the key properties of 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine?
4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine has a molecular weight of 2685.02 g/mol, XLogP of 26.22, 35 rotatable bonds, 1 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[1-(4-fluorophenyl)-5,6-dihydro-2H-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzoxazole;2-(4-fluorophenyl)-1-(3-methoxypropyl)-5-[(E)-2-[7-(4-methylimidazol-1-yl)-2,3-dihydro-1-benzofuran-4-yl]ethenyl]-1,2,4-triazol-3-one;4-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-7-(4-methylimidazol-1-yl)-1,2-benzothiazole;1-(4-fluorophenyl)-3-[(E)-2-[7-(4-methylimidazol-1-yl)-1,3-benzodioxol-4-yl]ethenyl]-2-propyl-5H-1,2,4-triazin-6-one;1-(4-fluorophenyl)-3-[(E)-2-[5-(4-methylimidazol-1-yl)-2-bicyclo[4.2.0]octa-1,3,5-trienyl]ethenyl]-2-propyl-6H-1,2,4-triazin-5-one;3-[(E)-2-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]ethenyl]-2-propyl-1-(3,4,5-trifluorophenyl)-5,6-dihydro-1,2,4-triazine is sourced from PubChem (CID 161391054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).