2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine

C105H137F3N30O6 — CID 165028853

About 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine

2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165028853) has the molecular formula C105H137F3N30O6 and a molecular weight of 1972.45 g/mol. Its IUPAC name is 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 165028853
• Molecular Formula: C105H137F3N30O6
• Molecular Weight: 1972.45 g/mol
• Exact Mass: 1971.13
• IUPAC Name: 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CC(C)COc1nc(N)c2ncc(Cc3cccc(CN4CCCC4)c3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccccc3CN3CCCC3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccccc3CN3CCCCC3)n2n1.COCCOc1nc(N)c2ncc(Cc3cccc(CN4CCCC4)c3)n2n1.Nc1nc(OCCCC(F)(F)F)nn2c(Cc3cccc(CN4CCCC4)c3)cnc12
• InChI: InChI=1S/C22H30N6O.C21H25F3N6O.2C21H28N6O.C20H26N6O2/c1-2-3-13-29-22-25-20(23)21-24-15-19(28(21)26-22)14-17-9-5-6-10-18(17)16-27-11-7-4-8-12-27;22-21(23,24)7-4-10-31-20-27-18(25)19-26-13-17(30(19)28-20)12-15-5-3-6-16(11-15)14-29-8-1-2-9-29;1-15(2)14-28-21-24-19(22)20-23-12-18(27(20)25-21)11-16-6-5-7-17(10-16)13-26-8-3-4-9-26;1-2-3-12-28-21-24-19(22)20-23-14-18(27(20)25-21)13-16-8-4-5-9-17(16)15-26-10-6-7-11-26;1-27-9-10-28-20-23-18(21)19-22-13-17(26(19)24-20)12-15-5-4-6-16(11-15)14-25-7-2-3-8-25/h5-6,9-10,15H,2-4,7-8,11-14,16H2,1H3,(H2,23,25,26);3,5-6,11,13H,1-2,4,7-10,12,14H2,(H2,25,27,28);5-7,10,12,15H,3-4,8-9,11,13-14H2,1-2H3,(H2,22,24,25);4-5,8-9,14H,2-3,6-7,10-13,15H2,1H3,(H2,22,24,25);4-6,11,13H,2-3,7-10,12,14H2,1H3,(H2,21,23,24)
• InChIKey: MIAZZHCQZIMVAM-UHFFFAOYSA-N
• XLogP: 14.99
• TPSA: 417.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 36
• Rotatable Bonds: 39
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1972.45
LogP ≤ 5	14.99
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	36

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_6_tetrazine(18)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 165028853) is 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is CC(C)COc1nc(N)c2ncc(Cc3cccc(CN4CCCC4)c3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccccc3CN3CCCC3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccccc3CN3CCCCC3)n2n1.COCCOc1nc(N)c2ncc(Cc3cccc(CN4CCCC4)c3)n2n1.Nc1nc(OCCCC(F)(F)F)nn2c(Cc3cccc(CN4CCCC4)c3)cnc12.

What is the InChIKey of 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is MIAZZHCQZIMVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O.C21H25F3N6O.2C21H28N6O.C20H26N6O2/c1-2-3-13-29-22-25-20(23)21-24-15-19(28(21)26-22)14-17-9-5-6-10-18(17)16-27-11-7-4-8-12-27;22-21(23,24)7-4-10-31-20-27-18(25)19-26-13-17(30(19)28-20)12-15-5-3-6-16(11-15)14-29-8-1-2-9-29;1-15(2)14-28-21-24-19(22)20-23-12-18(27(20)25-21)11-16-6-5-7-17(10-16)13-26-8-3-4-9-26;1-2-3-12-28-21-24-19(22)20-23-14-18(27(20)25-21)13-16-8-4-5-9-17(16)15-26-10-6-7-11-26;1-27-9-10-28-20-23-18(21)19-22-13-17(26(19)24-20)12-15-5-4-6-16(11-15)14-25-7-2-3-8-25/h5-6,9-10,15H,2-4,7-8,11-14,16H2,1H3,(H2,23,25,26);3,5-6,11,13H,1-2,4,7-10,12,14H2,(H2,25,27,28);5-7,10,12,15H,3-4,8-9,11,13-14H2,1-2H3,(H2,22,24,25);4-5,8-9,14H,2-3,6-7,10-13,15H2,1H3,(H2,22,24,25);4-6,11,13H,2-3,7-10,12,14H2,1H3,(H2,21,23,24).

What are the key properties of 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 1972.45 g/mol, XLogP of 14.99, 39 rotatable bonds, 5 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-7-[[2-(piperidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methoxyethoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-(2-methylpropoxy)-7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 165028853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).