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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)

C125H123F7N26O8W — CID 160564990

About 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)

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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+) (PubChem CID 160564990) has the molecular formula C125H123F7N26O8W and a molecular weight of 2434.36 g/mol. Its IUPAC name is 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+).

Molecular Properties

• Compound Name: 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)
• PubChem CID: 160564990
• Molecular Formula: C125H123F7N26O8W
• Molecular Weight: 2434.36 g/mol
• Exact Mass: 2432.94
• IUPAC Name: 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)
• SMILES: 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(-c2[c-]c(C=[N-])c(/C=C/C3=NCCN(c4ccc(F)cc4)N3C)cc2)cn1.[W+2]
• InChI: InChI=1S/C26H26FN5O3.C26H26FN5O.C25H26F3N5O.C25H24FN5O3.C23H21FN6.W/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;1-17-15-29(16-27-17)22-7-3-18(19(13-22)14-25)4-10-23-26-11-12-30(28(23)2)21-8-5-20(24)6-9-21;/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;3-10,14-16H,11-12H2,1-2H3;/q;;;;-2;+2/b11-5+;13-5+;8-6+;11-5+;10-4+
• InChIKey: ZUOPJGNMGJVFDQ-UDXVABANSA-N
• XLogP: 21.50
• TPSA: 306.87 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 32
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2434.36
LogP ≤ 5	21.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)?

The IUPAC name of 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+) (CID 160564990) is 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+).

What is the SMILES notation for 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)?

The canonical SMILES for 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+) 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(-c2[c-]c(C=[N-])c(/C=C/C3=NCCN(c4ccc(F)cc4)N3C)cc2)cn1.[W+2].

What is the InChIKey of 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)?

The InChIKey is ZUOPJGNMGJVFDQ-UDXVABANSA-N. The full InChI is InChI=1S/C26H26FN5O3.C26H26FN5O.C25H26F3N5O.C25H24FN5O3.C23H21FN6.W/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;1-17-15-29(16-27-17)22-7-3-18(19(13-22)14-25)4-10-23-26-11-12-30(28(23)2)21-8-5-20(24)6-9-21;/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;3-10,14-16H,11-12H2,1-2H3;/q;;;;-2;+2/b11-5+;13-5+;8-6+;11-5+;10-4+;.

What are the key properties of 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+)?

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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+) has a molecular weight of 2434.36 g/mol, XLogP of 21.50, 32 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 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;[2-[(E)-2-[1-(4-fluorophenyl)-2-methyl-5,6-dihydro-1,2,4-triazin-3-yl]ethenyl]-5-(4-methylimidazol-1-yl)benzene-6-id-1-yl]methylideneazanide;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;tungsten(2+) is sourced from PubChem (CID 160564990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).