(Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide

C116H102F18N38O6 — CID 162004374

About (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide

(Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide (PubChem CID 162004374) has the molecular formula C116H102F18N38O6 and a molecular weight of 2466.32 g/mol. Its IUPAC name is (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide.

Molecular Properties

• Compound Name: (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide
• PubChem CID: 162004374
• Molecular Formula: C116H102F18N38O6
• Molecular Weight: 2466.32 g/mol
• Exact Mass: 2464.86
• IUPAC Name: (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide
• SMILES: Cc1cc(-c2ncn(/C=C\C(=O)NN(C)c3cccnc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NN(C)c3ncccc3C)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cc(C)ncn3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cccnc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cnc4ccccc4n3)n2)cc(C(F)(F)F)c1.Cc1ccc(N(C)NC(=O)/C=C\n2cnc(-c3cc(C)cc(C(F)(F)F)c3)n2)nc1
• InChI: InChI=1S/C21H16F3N7O.2C20H19F3N6O.C19H17F3N6O.C18H16F3N7O.C18H15F3N6O/c1-13-8-14(10-15(9-13)21(22,23)24)20-26-12-31(30-20)7-6-19(32)29-28-18-11-25-16-4-2-3-5-17(16)27-18;1-13-4-5-17(24-11-13)28(3)26-18(30)6-7-29-12-25-19(27-29)15-8-14(2)9-16(10-15)20(21,22)23;1-13-9-15(11-16(10-13)20(21,22)23)18-25-12-29(27-18)8-6-17(30)26-28(3)19-14(2)5-4-7-24-19;1-13-8-14(10-15(9-13)19(20,21)22)18-24-12-28(26-18)7-5-17(29)25-27(2)16-4-3-6-23-11-16;1-11-5-13(8-14(6-11)18(19,20)21)17-24-10-28(27-17)4-3-16(29)26-25-15-7-12(2)22-9-23-15;1-12-7-13(9-14(8-12)18(19,20)21)17-23-11-27(26-17)6-4-16(28)25-24-15-3-2-5-22-10-15/h2-12H,1H3,(H,27,28)(H,29,32);2*4-12H,1-3H3,(H,26,30);3-12H,1-2H3,(H,25,29);3-10H,1-2H3,(H,26,29)(H,22,23,25);2-11,24H,1H3,(H,25,28)/b2*7-6-;8-6-;7-5-;4-3-;6-4-
• InChIKey: YSQAWZGULNUKKH-PXOLGJAYSA-N
• XLogP: 20.63
• TPSA: 507.79 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 38
• Rotatable Bonds: 30
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2466.32
LogP ≤ 5	20.63
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?

The IUPAC name of (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide (CID 162004374) is (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide.

What is the SMILES notation for (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?

The canonical SMILES for (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide is Cc1cc(-c2ncn(/C=C\C(=O)NN(C)c3cccnc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NN(C)c3ncccc3C)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cc(C)ncn3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cccnc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cnc4ccccc4n3)n2)cc(C(F)(F)F)c1.Cc1ccc(N(C)NC(=O)/C=C\n2cnc(-c3cc(C)cc(C(F)(F)F)c3)n2)nc1.

What is the InChIKey of (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?

The InChIKey is YSQAWZGULNUKKH-PXOLGJAYSA-N. The full InChI is InChI=1S/C21H16F3N7O.2C20H19F3N6O.C19H17F3N6O.C18H16F3N7O.C18H15F3N6O/c1-13-8-14(10-15(9-13)21(22,23)24)20-26-12-31(30-20)7-6-19(32)29-28-18-11-25-16-4-2-3-5-17(16)27-18;1-13-4-5-17(24-11-13)28(3)26-18(30)6-7-29-12-25-19(27-29)15-8-14(2)9-16(10-15)20(21,22)23;1-13-9-15(11-16(10-13)20(21,22)23)18-25-12-29(27-18)8-6-17(30)26-28(3)19-14(2)5-4-7-24-19;1-13-8-14(10-15(9-13)19(20,21)22)18-24-12-28(26-18)7-5-17(29)25-27(2)16-4-3-6-23-11-16;1-11-5-13(8-14(6-11)18(19,20)21)17-24-10-28(27-17)4-3-16(29)26-25-15-7-12(2)22-9-23-15;1-12-7-13(9-14(8-12)18(19,20)21)17-23-11-27(26-17)6-4-16(28)25-24-15-3-2-5-22-10-15/h2-12H,1H3,(H,27,28)(H,29,32);2*4-12H,1-3H3,(H,26,30);3-12H,1-2H3,(H,25,29);3-10H,1-2H3,(H,26,29)(H,22,23,25);2-11,24H,1H3,(H,25,28)/b2*7-6-;8-6-;7-5-;4-3-;6-4-.

What are the key properties of (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide?

(Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide has a molecular weight of 2466.32 g/mol, XLogP of 20.63, 30 rotatable bonds, 9 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-methyl-N'-(3-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-N'-(5-methyl-2-pyridinyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-methyl-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-N'-(6-methylpyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-3-ylprop-2-enehydrazide;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-quinoxalin-2-ylprop-2-enehydrazide is sourced from PubChem (CID 162004374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).