(Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide

C93H80ClF15N30O7S — CID 158920392

About (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide

(Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide (PubChem CID 158920392) has the molecular formula C93H80ClF15N30O7S and a molecular weight of 2082.36 g/mol. Its IUPAC name is (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide.

Molecular Properties

• Compound Name: (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide
• PubChem CID: 158920392
• Molecular Formula: C93H80ClF15N30O7S
• Molecular Weight: 2082.36 g/mol
• Exact Mass: 2080.60
• IUPAC Name: (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-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)NNC3CCS(=O)(=O)C3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cc(Cl)ncn3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3ccc4ccccc4n3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cccnc3)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C22H17F3N6O.C19H17F3N6O.C18H15F3N6O.C17H13ClF3N7O.C17H18F3N5O3S/c1-14-10-16(12-17(11-14)22(23,24)25)21-26-13-31(30-21)9-8-20(32)29-28-19-7-6-15-4-2-3-5-18(15)27-19;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;1-12-7-13(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;1-10-4-11(6-12(5-10)17(19,20)21)16-24-9-28(27-16)3-2-15(29)26-25-14-7-13(18)22-8-23-14;1-11-6-12(8-13(7-11)17(18,19)20)16-21-10-25(24-16)4-2-15(26)23-22-14-3-5-29(27,28)9-14/h2-13H,1H3,(H,27,28)(H,29,32);3-12H,1-2H3,(H,25,29);2-11,24H,1H3,(H,25,28);2-9H,1H3,(H,26,29)(H,22,23,25);2,4,6-8,10,14,22H,3,5,9H2,1H3,(H,23,26)/b9-8-;7-5-;6-4-;3-2-;4-2-
• InChIKey: JHTMXHHABINPSR-QKPLLPLMSA-N
• XLogP: 15.90
• TPSA: 449.00 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 32
• Rotatable Bonds: 25
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2082.36
LogP ≤ 5	15.90
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	32

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'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide?

The IUPAC name of (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide (CID 158920392) is (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide.

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

The canonical SMILES for (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-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)NNC3CCS(=O)(=O)C3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cc(Cl)ncn3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3ccc4ccccc4n3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3cccnc3)n2)cc(C(F)(F)F)c1.

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

The InChIKey is JHTMXHHABINPSR-QKPLLPLMSA-N. The full InChI is InChI=1S/C22H17F3N6O.C19H17F3N6O.C18H15F3N6O.C17H13ClF3N7O.C17H18F3N5O3S/c1-14-10-16(12-17(11-14)22(23,24)25)21-26-13-31(30-21)9-8-20(32)29-28-19-7-6-15-4-2-3-5-18(15)27-19;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;1-12-7-13(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;1-10-4-11(6-12(5-10)17(19,20)21)16-24-9-28(27-16)3-2-15(29)26-25-14-7-13(18)22-8-23-14;1-11-6-12(8-13(7-11)17(18,19)20)16-21-10-25(24-16)4-2-15(26)23-22-14-3-5-29(27,28)9-14/h2-13H,1H3,(H,27,28)(H,29,32);3-12H,1-2H3,(H,25,29);2-11,24H,1H3,(H,25,28);2-9H,1H3,(H,26,29)(H,22,23,25);2,4,6-8,10,14,22H,3,5,9H2,1H3,(H,23,26)/b9-8-;7-5-;6-4-;3-2-;4-2-.

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

(Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide has a molecular weight of 2082.36 g/mol, XLogP of 15.90, 25 rotatable bonds, 9 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N'-(6-chloropyrimidin-4-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enehydrazide;(Z)-N'-(1,1-dioxothiolan-3-yl)-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)-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'-quinolin-2-ylprop-2-enehydrazide is sourced from PubChem (CID 158920392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).