(Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide

C106H108F18N32O7 — CID 160834296

About (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide

(Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide (PubChem CID 160834296) has the molecular formula C106H108F18N32O7 and a molecular weight of 2284.21 g/mol. Its IUPAC name is (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide.

Molecular Properties

• Compound Name: (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
• PubChem CID: 160834296
• Molecular Formula: C106H108F18N32O7
• Molecular Weight: 2284.21 g/mol
• Exact Mass: 2282.88
• IUPAC Name: (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide
• SMILES: CCN1CCN(NC(=O)/C=C\n2cnc(-c3cc(C)cc(C(F)(F)F)c3)n2)CC1.Cc1cc(-c2ncn(/C=C\C(=O)CNc3cnccn3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NCC3CC3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NN3CC(C)C3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3ccncc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(CCC(=O)NN3CCOCC3)n2)cc(C(F)(F)F)c1
• InChI: InChI=1S/C19H23F3N6O.2C18H15F3N6O.C17H20F3N5O2.C17H18F3N5O.C17H17F3N4O/c1-3-26-6-8-27(9-7-26)24-17(29)4-5-28-13-23-18(25-28)15-10-14(2)11-16(12-15)19(20,21)22;1-12-8-13(10-14(9-12)18(19,20)21)17-23-11-27(26-17)7-4-16(28)25-24-15-2-5-22-6-3-15;1-12-6-13(8-14(7-12)18(19,20)21)17-25-11-27(26-17)5-2-15(28)9-24-16-10-22-3-4-23-16;1-12-8-13(10-14(9-12)17(18,19)20)16-21-11-25(23-16)3-2-15(26)22-24-4-6-27-7-5-24;1-11-5-13(7-14(6-11)17(18,19)20)16-21-10-24(23-16)4-3-15(26)22-25-8-12(2)9-25;1-11-6-13(8-14(7-11)17(18,19)20)16-22-10-24(23-16)5-4-15(25)21-9-12-2-3-12/h4-5,10-13H,3,6-9H2,1-2H3,(H,24,29);2-11H,1H3,(H,22,24)(H,25,28);2-8,10-11H,9H2,1H3,(H,23,24);8-11H,2-7H2,1H3,(H,22,26);3-7,10,12H,8-9H2,1-2H3,(H,22,26);4-8,10,12H,2-3,9H2,1H3,(H,21,25)/b5-4-;7-4-;5-2-;;4-3-;5-4-
• InChIKey: SHFBWIDTKNTVOL-KMSRVQDHSA-N
• XLogP: 16.93
• TPSA: 431.75 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 34
• Rotatable Bonds: 30
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2284.21
LogP ≤ 5	16.93
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	34

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-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?

The IUPAC name of (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide (CID 160834296) is (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide.

What is the SMILES notation for (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?

The canonical SMILES for (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide is CCN1CCN(NC(=O)/C=C\n2cnc(-c3cc(C)cc(C(F)(F)F)c3)n2)CC1.Cc1cc(-c2ncn(/C=C\C(=O)CNc3cnccn3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NCC3CC3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NN3CC(C)C3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(/C=C\C(=O)NNc3ccncc3)n2)cc(C(F)(F)F)c1.Cc1cc(-c2ncn(CCC(=O)NN3CCOCC3)n2)cc(C(F)(F)F)c1.

What is the InChIKey of (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?

The InChIKey is SHFBWIDTKNTVOL-KMSRVQDHSA-N. The full InChI is InChI=1S/C19H23F3N6O.2C18H15F3N6O.C17H20F3N5O2.C17H18F3N5O.C17H17F3N4O/c1-3-26-6-8-27(9-7-26)24-17(29)4-5-28-13-23-18(25-28)15-10-14(2)11-16(12-15)19(20,21)22;1-12-8-13(10-14(9-12)18(19,20)21)17-23-11-27(26-17)7-4-16(28)25-24-15-2-5-22-6-3-15;1-12-6-13(8-14(7-12)18(19,20)21)17-25-11-27(26-17)5-2-15(28)9-24-16-10-22-3-4-23-16;1-12-8-13(10-14(9-12)17(18,19)20)16-21-11-25(23-16)3-2-15(26)22-24-4-6-27-7-5-24;1-11-5-13(7-14(6-11)17(18,19)20)16-21-10-24(23-16)4-3-15(26)22-25-8-12(2)9-25;1-11-6-13(8-14(7-11)17(18,19)20)16-22-10-24(23-16)5-4-15(25)21-9-12-2-3-12/h4-5,10-13H,3,6-9H2,1-2H3,(H,24,29);2-11H,1H3,(H,22,24)(H,25,28);2-8,10-11H,9H2,1H3,(H,23,24);8-11H,2-7H2,1H3,(H,22,26);3-7,10,12H,8-9H2,1-2H3,(H,22,26);4-8,10,12H,2-3,9H2,1H3,(H,21,25)/b5-4-;7-4-;5-2-;;4-3-;5-4-.

What are the key properties of (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide?

(Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide has a molecular weight of 2284.21 g/mol, XLogP of 16.93, 30 rotatable bonds, 7 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-(cyclopropylmethyl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(4-ethylpiperazin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;(Z)-N-(3-methylazetidin-1-yl)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enamide;3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N-morpholin-4-ylpropanamide;(Z)-4-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-1-(pyrazin-2-ylamino)but-3-en-2-one;(Z)-3-[3-[3-methyl-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]-N'-pyridin-4-ylprop-2-enehydrazide is sourced from PubChem (CID 160834296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).