2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

C86H70F3N21O5 — CID 161270471

About 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide

2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide (PubChem CID 161270471) has the molecular formula C86H70F3N21O5 and a molecular weight of 1534.64 g/mol. Its IUPAC name is 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
• PubChem CID: 161270471
• Molecular Formula: C86H70F3N21O5
• Molecular Weight: 1534.64 g/mol
• Exact Mass: 1533.58
• IUPAC Name: 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide
• SMILES: Cc1ccc(-c2nc(NC(=O)c3ccccc3C)n(-c3ccccc3)n2)nc1.Cc1ccccc1C(=O)Nc1nc(-c2ccccn2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(-c2ccncn2)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(-c2ncccc2C)nn1-c1ccccc1
• InChI: InChI=1S/C22H16F3N5O2.2C22H19N5O.C20H16N6O/c1-14-6-2-3-7-17(14)20(31)28-21-27-19(18-8-4-5-13-26-18)29-30(21)15-9-11-16(12-10-15)32-22(23,24)25;1-15-9-6-7-13-18(15)21(28)25-22-24-20(19-16(2)10-8-14-23-19)26-27(22)17-11-4-3-5-12-17;1-15-12-13-19(23-14-15)20-24-22(27(26-20)17-9-4-3-5-10-17)25-21(28)18-11-7-6-8-16(18)2;1-14-7-5-6-10-16(14)19(27)24-20-23-18(17-11-12-21-13-22-17)25-26(20)15-8-3-2-4-9-15/h2-13H,1H3,(H,27,28,29,31);2*3-14H,1-2H3,(H,24,25,26,28);2-13H,1H3,(H,23,24,25,27)
• InChIKey: VDSZPSFOHWVEFC-UHFFFAOYSA-N
• XLogP: 16.47
• TPSA: 312.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 22
• Rotatable Bonds: 17
• Heavy Atoms: 115
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1534.64
LogP ≤ 5	16.47
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?

The IUPAC name of 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide (CID 161270471) is 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide.

What is the SMILES notation for 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?

The canonical SMILES for 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide is Cc1ccc(-c2nc(NC(=O)c3ccccc3C)n(-c3ccccc3)n2)nc1.Cc1ccccc1C(=O)Nc1nc(-c2ccccn2)nn1-c1ccc(OC(F)(F)F)cc1.Cc1ccccc1C(=O)Nc1nc(-c2ccncn2)nn1-c1ccccc1.Cc1ccccc1C(=O)Nc1nc(-c2ncccc2C)nn1-c1ccccc1.

What is the InChIKey of 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?

The InChIKey is VDSZPSFOHWVEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F3N5O2.2C22H19N5O.C20H16N6O/c1-14-6-2-3-7-17(14)20(31)28-21-27-19(18-8-4-5-13-26-18)29-30(21)15-9-11-16(12-10-15)32-22(23,24)25;1-15-9-6-7-13-18(15)21(28)25-22-24-20(19-16(2)10-8-14-23-19)26-27(22)17-11-4-3-5-12-17;1-15-12-13-19(23-14-15)20-24-22(27(26-20)17-9-4-3-5-10-17)25-21(28)18-11-7-6-8-16(18)2;1-14-7-5-6-10-16(14)19(27)24-20-23-18(17-11-12-21-13-22-17)25-26(20)15-8-3-2-4-9-15/h2-13H,1H3,(H,27,28,29,31);2*3-14H,1-2H3,(H,24,25,26,28);2-13H,1H3,(H,23,24,25,27).

What are the key properties of 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide?

2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide has a molecular weight of 1534.64 g/mol, XLogP of 16.47, 17 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[5-(3-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-[5-(5-methyl-2-pyridinyl)-2-phenyl-1,2,4-triazol-3-yl]benzamide;2-methyl-N-(2-phenyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)benzamide;2-methyl-N-[5-pyridin-2-yl-2-[4-(trifluoromethoxy)phenyl]-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 161270471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).