3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C127H180N38O8 — CID 164969030

About 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 164969030) has the molecular formula C127H180N38O8 and a molecular weight of 2367.09 g/mol. Its IUPAC name is 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 164969030
• Molecular Formula: C127H180N38O8
• Molecular Weight: 2367.09 g/mol
• Exact Mass: 2365.48
• IUPAC Name: 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CCCCCc1ccc(Cc2cnc3c(N)nc(OC(C)CCC)nn23)cn1.CCCCCc1ccc(Cc2cnc3c(N)nc(OC(CCC)CCO)nn23)cn1.CCCCCc1ncc(Cc2cnc3c(N)nc(OC(C)CCC)nn23)cc1C.CCCCNc1nc(N)c2ncc(C(C)c3ccc(CN4CCCC4)cc3)n2n1.CCCCOc1ccc(Cc2cnc3c(N)nc(OCC4CCOC4)nn23)cn1.CCCCOc1nc(N)c2ncc(Cc3cnn(CC4CCCCC4)c3)n2n1
• InChI: InChI=1S/C22H31N7.C22H32N6O2.C22H32N6O.C21H30N6O.C20H29N7O.C20H26N6O3/c1-3-4-11-24-22-26-20(23)21-25-14-19(29(21)27-22)16(2)18-9-7-17(8-10-18)15-28-12-5-6-13-28;1-3-5-6-8-17-10-9-16(14-24-17)13-18-15-25-21-20(23)26-22(27-28(18)21)30-19(7-4-2)11-12-29;1-5-7-8-10-19-15(3)11-17(13-24-19)12-18-14-25-21-20(23)26-22(27-28(18)21)29-16(4)9-6-2;1-4-6-7-9-17-11-10-16(13-23-17)12-18-14-24-20-19(22)25-21(26-27(18)20)28-15(3)8-5-2;1-2-3-9-28-20-24-18(21)19-22-12-17(27(19)25-20)10-16-11-23-26(14-16)13-15-7-5-4-6-8-15;1-2-3-7-28-17-5-4-14(10-22-17)9-16-11-23-19-18(21)24-20(25-26(16)19)29-13-15-6-8-27-12-15/h7-10,14,16H,3-6,11-13,15H2,1-2H3,(H3,23,24,26,27);9-10,14-15,19,29H,3-8,11-13H2,1-2H3,(H2,23,26,27);11,13-14,16H,5-10,12H2,1-4H3,(H2,23,26,27);10-11,13-15H,4-9,12H2,1-3H3,(H2,22,25,26);11-12,14-15H,2-10,13H2,1H3,(H2,21,24,25);4-5,10-11,15H,2-3,6-9,12-13H2,1H3,(H2,21,24,25)
• InChIKey: CWEKBYWFSRSUNI-UHFFFAOYSA-N
• XLogP: 20.85
• TPSA: 584.09 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 46
• Rotatable Bonds: 57
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2367.09
LogP ≤ 5	20.85
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	46

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 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 164969030) is 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is CCCCCc1ccc(Cc2cnc3c(N)nc(OC(C)CCC)nn23)cn1.CCCCCc1ccc(Cc2cnc3c(N)nc(OC(CCC)CCO)nn23)cn1.CCCCCc1ncc(Cc2cnc3c(N)nc(OC(C)CCC)nn23)cc1C.CCCCNc1nc(N)c2ncc(C(C)c3ccc(CN4CCCC4)cc3)n2n1.CCCCOc1ccc(Cc2cnc3c(N)nc(OCC4CCOC4)nn23)cn1.CCCCOc1nc(N)c2ncc(Cc3cnn(CC4CCCCC4)c3)n2n1.

What is the InChIKey of 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is CWEKBYWFSRSUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N7.C22H32N6O2.C22H32N6O.C21H30N6O.C20H29N7O.C20H26N6O3/c1-3-4-11-24-22-26-20(23)21-25-14-19(29(21)27-22)16(2)18-9-7-17(8-10-18)15-28-12-5-6-13-28;1-3-5-6-8-17-10-9-16(14-24-17)13-18-15-25-21-20(23)26-22(27-28(18)21)30-19(7-4-2)11-12-29;1-5-7-8-10-19-15(3)11-17(13-24-19)12-18-14-25-21-20(23)26-22(27-28(18)21)29-16(4)9-6-2;1-4-6-7-9-17-11-10-16(13-23-17)12-18-14-24-20-19(22)25-21(26-27(18)20)28-15(3)8-5-2;1-2-3-9-28-20-24-18(21)19-22-12-17(27(19)25-20)10-16-11-23-26(14-16)13-15-7-5-4-6-8-15;1-2-3-7-28-17-5-4-14(10-22-17)9-16-11-23-19-18(21)24-20(25-26(16)19)29-13-15-6-8-27-12-15/h7-10,14,16H,3-6,11-13,15H2,1-2H3,(H3,23,24,26,27);9-10,14-15,19,29H,3-8,11-13H2,1-2H3,(H2,23,26,27);11,13-14,16H,5-10,12H2,1-4H3,(H2,23,26,27);10-11,13-15H,4-9,12H2,1-3H3,(H2,22,25,26);11-12,14-15H,2-10,13H2,1H3,(H2,21,24,25);4-5,10-11,15H,2-3,6-9,12-13H2,1H3,(H2,21,24,25).

What are the key properties of 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 2367.09 g/mol, XLogP of 20.85, 57 rotatable bonds, 8 hydrogen bond donors, and 46 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-amino-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-2-yl]oxyhexan-1-ol;2-butoxy-7-[[1-(cyclohexylmethyl)pyrazol-4-yl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[(6-butoxy-3-pyridinyl)methyl]-2-(oxolan-3-ylmethoxy)imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[1-[4-(pyrrolidin-1-ylmethyl)phenyl]ethyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;7-[(5-methyl-6-pentyl-3-pyridinyl)methyl]-2-pentan-2-yloxyimidazo[2,1-f][1,2,4]triazin-4-amine;2-pentan-2-yloxy-7-[(6-pentyl-3-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 164969030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).