3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

C98H96N40O6S — CID 159357127

About 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide

3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (PubChem CID 159357127) has the molecular formula C98H96N40O6S and a molecular weight of 1962.19 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
• PubChem CID: 159357127
• Molecular Formula: C98H96N40O6S
• Molecular Weight: 1962.19 g/mol
• Exact Mass: 1960.82
• IUPAC Name: 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide
• SMILES: O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2c[nH]c3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2coc3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2csc3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2n[nH]c3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2nc3ccccc3[nH]2)n[nH]1
• InChI: InChI=1S/C20H20N8O.C20H19N7O2.C20H19N7OS.2C19H19N9O/c29-20(24-16-12-22-6-5-17(16)28-9-7-21-8-10-28)19-25-18(26-27-19)14-11-23-15-4-2-1-3-13(14)15;2*28-20(23-15-11-22-6-5-16(15)27-9-7-21-8-10-27)19-24-18(25-26-19)14-12-29-17-4-2-1-3-13(14)17;29-19(24-14-11-21-6-5-15(14)28-9-7-20-8-10-28)18-25-17(26-27-18)16-22-12-3-1-2-4-13(12)23-16;29-19(22-14-11-21-6-5-15(14)28-9-7-20-8-10-28)18-23-17(26-27-18)16-12-3-1-2-4-13(12)24-25-16/h1-6,11-12,21,23H,7-10H2,(H,24,29)(H,25,26,27);2*1-6,11-12,21H,7-10H2,(H,23,28)(H,24,25,26);1-6,11,20H,7-10H2,(H,22,23)(H,24,29)(H,25,26,27);1-6,11,20H,7-10H2,(H,22,29)(H,24,25)(H,23,26,27)
• InChIKey: LIBJOLLKGDUCRV-UHFFFAOYSA-N
• XLogP: 9.84
• TPSA: 580.44 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 34
• Rotatable Bonds: 20
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1962.19
LogP ≤ 5	9.84
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	34

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The IUPAC name of 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide (CID 159357127) is 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide.

What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The canonical SMILES for 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2c[nH]c3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2coc3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2csc3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2n[nH]c3ccccc23)n[nH]1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2nc3ccccc3[nH]2)n[nH]1.

What is the InChIKey of 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

The InChIKey is LIBJOLLKGDUCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N8O.C20H19N7O2.C20H19N7OS.2C19H19N9O/c29-20(24-16-12-22-6-5-17(16)28-9-7-21-8-10-28)19-25-18(26-27-19)14-11-23-15-4-2-1-3-13(14)15;2*28-20(23-15-11-22-6-5-16(15)27-9-7-21-8-10-27)19-24-18(25-26-19)14-12-29-17-4-2-1-3-13(14)17;29-19(24-14-11-21-6-5-15(14)28-9-7-20-8-10-28)18-25-17(26-27-18)16-22-12-3-1-2-4-13(12)23-16;29-19(22-14-11-21-6-5-15(14)28-9-7-20-8-10-28)18-23-17(26-27-18)16-12-3-1-2-4-13(12)24-25-16/h1-6,11-12,21,23H,7-10H2,(H,24,29)(H,25,26,27);2*1-6,11-12,21H,7-10H2,(H,23,28)(H,24,25,26);1-6,11,20H,7-10H2,(H,22,23)(H,24,29)(H,25,26,27);1-6,11,20H,7-10H2,(H,22,29)(H,24,25)(H,23,26,27).

What are the key properties of 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide?

3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide has a molecular weight of 1962.19 g/mol, XLogP of 9.84, 20 rotatable bonds, 18 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1H-benzimidazol-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzofuran-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1-benzothiophen-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indazol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;3-(1H-indol-3-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide is sourced from PubChem (CID 159357127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).