3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide

C104H101N35O8S2 — CID 160900753

About 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide

3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide (PubChem CID 160900753) has the molecular formula C104H101N35O8S2 and a molecular weight of 2033.32 g/mol. Its IUPAC name is 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

• Compound Name: 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
• PubChem CID: 160900753
• Molecular Formula: C104H101N35O8S2
• Molecular Weight: 2033.32 g/mol
• Exact Mass: 2031.80
• IUPAC Name: 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide
• SMILES: COc1ccc2c(c1)C=C(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1n[nH]c(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1n[nH]c(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1n[nH]c(-c2ccc(-c3ccccc3)s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2ccc3occc3c2)n[nH]1
• InChI: InChI=1S/C22H23N7O2.C22H21N7OS.2C20H19N7O2.C20H19N7OS/c1-31-17-3-2-14-10-16(11-15(14)12-17)20-26-21(28-27-20)22(30)25-18-13-24-5-4-19(18)29-8-6-23-7-9-29;30-22(25-16-14-24-9-8-17(16)29-12-10-23-11-13-29)21-26-20(27-28-21)19-7-6-18(31-19)15-4-2-1-3-5-15;28-20(23-15-12-22-5-3-16(15)27-8-6-21-7-9-27)19-24-18(25-26-19)14-1-2-17-13(11-14)4-10-29-17;2*28-20(23-14-12-22-6-5-15(14)27-9-7-21-8-10-27)19-24-18(25-26-19)17-11-13-3-1-2-4-16(13)29-17/h2-5,11-13,23H,6-10H2,1H3,(H,25,30)(H,26,27,28);1-9,14,23H,10-13H2,(H,25,30)(H,26,27,28);1-5,10-12,21H,6-9H2,(H,23,28)(H,24,25,26);2*1-6,11-12,21H,7-10H2,(H,23,28)(H,24,25,26)
• InChIKey: SPLVCCMNRQOMJL-UHFFFAOYSA-N
• XLogP: 12.52
• TPSA: 529.66 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 35
• Rotatable Bonds: 22
• Heavy Atoms: 149
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2033.32
LogP ≤ 5	12.52
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

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

The IUPAC name of 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide (CID 160900753) is 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide.

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

The canonical SMILES for 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide is COc1ccc2c(c1)C=C(c1n[nH]c(C(=O)Nc3cnccc3N3CCNCC3)n1)C2.O=C(Nc1cnccc1N1CCNCC1)c1n[nH]c(-c2cc3ccccc3o2)n1.O=C(Nc1cnccc1N1CCNCC1)c1n[nH]c(-c2cc3ccccc3s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1n[nH]c(-c2ccc(-c3ccccc3)s2)n1.O=C(Nc1cnccc1N1CCNCC1)c1nc(-c2ccc3occc3c2)n[nH]1.

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

The InChIKey is SPLVCCMNRQOMJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2.C22H21N7OS.2C20H19N7O2.C20H19N7OS/c1-31-17-3-2-14-10-16(11-15(14)12-17)20-26-21(28-27-20)22(30)25-18-13-24-5-4-19(18)29-8-6-23-7-9-29;30-22(25-16-14-24-9-8-17(16)29-12-10-23-11-13-29)21-26-20(27-28-21)19-7-6-18(31-19)15-4-2-1-3-5-15;28-20(23-15-12-22-5-3-16(15)27-8-6-21-7-9-27)19-24-18(25-26-19)14-1-2-17-13(11-14)4-10-29-17;2*28-20(23-14-12-22-6-5-15(14)27-9-7-21-8-10-27)19-24-18(25-26-19)17-11-13-3-1-2-4-16(13)29-17/h2-5,11-13,23H,6-10H2,1H3,(H,25,30)(H,26,27,28);1-9,14,23H,10-13H2,(H,25,30)(H,26,27,28);1-5,10-12,21H,6-9H2,(H,23,28)(H,24,25,26);2*1-6,11-12,21H,7-10H2,(H,23,28)(H,24,25,26).

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

3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 2033.32 g/mol, XLogP of 12.52, 22 rotatable bonds, 15 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1-benzofuran-5-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;5-(1-benzothiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide;3-(5-methoxy-1H-inden-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-5-carboxamide;5-(5-phenylthiophen-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 160900753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).