N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)

C86H73F12N29 — CID 157260378

About N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)

N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine) (PubChem CID 157260378) has the molecular formula C86H73F12N29 and a molecular weight of 1740.71 g/mol. Its IUPAC name is N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine).

Molecular Properties

• Compound Name: N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)
• PubChem CID: 157260378
• Molecular Formula: C86H73F12N29
• Molecular Weight: 1740.71 g/mol
• Exact Mass: 1739.64
• IUPAC Name: N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)
• SMILES: FC(F)(F)c1ccccc1-c1nnc(-n2ccnc2)c(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1nnc(C2CCNCC2)c(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1nnc(C2CCNCC2)c(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1nnc(N2CCCCC2)c(Nc2n[nH]c3ccccc23)n1
• InChI: InChI=1S/3C22H20F3N7.C20H13F3N8/c23-22(24,25)16-10-4-2-8-14(16)18-26-20(21(31-30-18)32-12-6-1-7-13-32)27-19-15-9-3-5-11-17(15)28-29-19;2*23-22(24,25)16-7-3-1-5-14(16)19-27-21(18(30-32-19)13-9-11-26-12-10-13)28-20-15-6-2-4-8-17(15)29-31-20;21-20(22,23)14-7-3-1-5-12(14)16-25-18(19(30-29-16)31-10-9-24-11-31)26-17-13-6-2-4-8-15(13)27-28-17/h2-5,8-11H,1,6-7,12-13H2,(H2,26,27,28,29,30);2*1-8,13,26H,9-12H2,(H2,27,28,29,31,32);1-11H,(H2,25,26,27,28,29)
• InChIKey: AXJPDLRPCQRIOJ-UHFFFAOYSA-N
• XLogP: 18.82
• TPSA: 362.64 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 16
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1740.71
LogP ≤ 5	18.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)?

The IUPAC name of N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine) (CID 157260378) is N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine).

What is the SMILES notation for N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)?

The canonical SMILES for N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine) is FC(F)(F)c1ccccc1-c1nnc(-n2ccnc2)c(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1nnc(C2CCNCC2)c(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1nnc(C2CCNCC2)c(Nc2n[nH]c3ccccc23)n1.FC(F)(F)c1ccccc1-c1nnc(N2CCCCC2)c(Nc2n[nH]c3ccccc23)n1.

What is the InChIKey of N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)?

The InChIKey is AXJPDLRPCQRIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C22H20F3N7.C20H13F3N8/c23-22(24,25)16-10-4-2-8-14(16)18-26-20(21(31-30-18)32-12-6-1-7-13-32)27-19-15-9-3-5-11-17(15)28-29-19;2*23-22(24,25)16-7-3-1-5-14(16)19-27-21(18(30-32-19)13-9-11-26-12-10-13)28-20-15-6-2-4-8-17(15)29-31-20;21-20(22,23)14-7-3-1-5-12(14)16-25-18(19(30-29-16)31-10-9-24-11-31)26-17-13-6-2-4-8-15(13)27-28-17/h2-5,8-11H,1,6-7,12-13H2,(H2,26,27,28,29,30);2*1-8,13,26H,9-12H2,(H2,27,28,29,31,32);1-11H,(H2,25,26,27,28,29).

What are the key properties of N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine)?

N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine) has a molecular weight of 1740.71 g/mol, XLogP of 18.82, 16 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-imidazol-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;N-[6-piperidin-1-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine;bis(N-[6-piperidin-4-yl-3-[2-(trifluoromethyl)phenyl]-1,2,4-triazin-5-yl]-1H-indazol-3-amine) is sourced from PubChem (CID 157260378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).