N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride

C107H106Cl5F12N31O8 — CID 158205181

About N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride

N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride (PubChem CID 158205181) has the molecular formula C107H106Cl5F12N31O8 and a molecular weight of 2359.47 g/mol. Its IUPAC name is N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride.

Molecular Properties

• Compound Name: N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride
• PubChem CID: 158205181
• Molecular Formula: C107H106Cl5F12N31O8
• Molecular Weight: 2359.47 g/mol
• Exact Mass: 2355.71
• IUPAC Name: N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride
• SMILES: CN(C)CCNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cl.Cl.Cl.Cl.Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CN2CCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.c1cc(CNC2CC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.c1ccc(NCc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1
• InChI: InChI=1S/C22H18N6.C21H22N6.C20H23N7.C19H18N6.C17H16N6.4C2HF3O2.5ClH/c1-2-7-18(8-3-1)23-13-15-5-4-6-16(11-15)21-19-12-17(22-24-14-25-28-22)9-10-20(19)26-27-21;1-2-9-27(10-3-1)13-15-5-4-6-16(11-15)20-18-12-17(21-22-14-23-26-21)7-8-19(18)24-25-20;1-27(2)9-8-21-12-14-4-3-5-15(10-14)19-17-11-16(20-22-13-23-26-20)6-7-18(17)24-25-19;1-2-12(10-20-15-5-6-15)8-13(3-1)18-16-9-14(19-21-11-22-25-19)4-7-17(16)23-24-18;1-18-9-11-3-2-4-12(7-11)16-14-8-13(17-19-10-20-23-17)5-6-15(14)21-22-16;4*3-2(4,5)1(6)7;;;;;/h1-12,14,23H,13H2,(H,26,27)(H,24,25,28);4-8,11-12,14H,1-3,9-10,13H2,(H,24,25)(H,22,23,26);3-7,10-11,13,21H,8-9,12H2,1-2H3,(H,24,25)(H,22,23,26);1-4,7-9,11,15,20H,5-6,10H2,(H,23,24)(H,21,22,25);2-8,10,18H,9H2,1H3,(H,21,22)(H,19,20,23);4*(H,6,7);5*1H
• InChIKey: ZVXSULTVDLLMSD-UHFFFAOYSA-N
• XLogP: 21.94
• TPSA: 555.05 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2359.47
LogP ≤ 5	21.94
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride?

The IUPAC name of N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride (CID 158205181) is N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride.

What is the SMILES notation for N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride?

The canonical SMILES for N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride is CN(C)CCNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.CNCc1cccc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.Cl.Cl.Cl.Cl.Cl.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.c1cc(CN2CCCCC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.c1cc(CNC2CC2)cc(-c2n[nH]c3ccc(-c4ncn[nH]4)cc23)c1.c1ccc(NCc2cccc(-c3n[nH]c4ccc(-c5ncn[nH]5)cc34)c2)cc1.

What is the InChIKey of N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride?

The InChIKey is ZVXSULTVDLLMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N6.C21H22N6.C20H23N7.C19H18N6.C17H16N6.4C2HF3O2.5ClH/c1-2-7-18(8-3-1)23-13-15-5-4-6-16(11-15)21-19-12-17(22-24-14-25-28-22)9-10-20(19)26-27-21;1-2-9-27(10-3-1)13-15-5-4-6-16(11-15)20-18-12-17(21-22-14-23-26-21)7-8-19(18)24-25-20;1-27(2)9-8-21-12-14-4-3-5-15(10-14)19-17-11-16(20-22-13-23-26-20)6-7-18(17)24-25-19;1-2-12(10-20-15-5-6-15)8-13(3-1)18-16-9-14(19-21-11-22-25-19)4-7-17(16)23-24-18;1-18-9-11-3-2-4-12(7-11)16-14-8-13(17-19-10-20-23-17)5-6-15(14)21-22-16;4*3-2(4,5)1(6)7;;;;;/h1-12,14,23H,13H2,(H,26,27)(H,24,25,28);4-8,11-12,14H,1-3,9-10,13H2,(H,24,25)(H,22,23,26);3-7,10-11,13,21H,8-9,12H2,1-2H3,(H,24,25)(H,22,23,26);1-4,7-9,11,15,20H,5-6,10H2,(H,23,24)(H,21,22,25);2-8,10,18H,9H2,1H3,(H,21,22)(H,19,20,23);4*(H,6,7);5*1H.

What are the key properties of N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride?

N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride has a molecular weight of 2359.47 g/mol, XLogP of 21.94, 25 rotatable bonds, 18 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N',N'-dimethyl-N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]ethane-1,2-diamine;N-methyl-1-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methanamine;3-[3-(piperidin-1-ylmethyl)phenyl]-5-(1H-1,2,4-triazol-5-yl)-1H-indazole;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]aniline;N-[[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]methyl]cyclopropanamine;tetrakis(2,2,2-trifluoroacetic acid);pentahydrochloride is sourced from PubChem (CID 158205181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).