2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine

C118H152FN39O10 — CID 165109736

About 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine

2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine (PubChem CID 165109736) has the molecular formula C118H152FN39O10 and a molecular weight of 2295.77 g/mol. Its IUPAC name is 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine.

Molecular Properties

• Compound Name: 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine
• PubChem CID: 165109736
• Molecular Formula: C118H152FN39O10
• Molecular Weight: 2295.77 g/mol
• Exact Mass: 2294.26
• IUPAC Name: 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine
• SMILES: CCCCOc1nc(N)c2ncc(Cc3ccc(OC)cn3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OC4C[C@H]5CC[C@@H](C4)N5CC)cc3F)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCC(C)(C)CN(C)C)cn3)n2n1.CCCCOc1nc(N)c2ncc(Cc3cccc(OC)n3)n2n1.Cc1cc(COc2nc(N)c3ncc(Cc4ccc(CN5CCCC5)cc4)n3n2)no1.Nc1nc(N)c2ncc(Cc3ccc(CN4CCCC4)cc3)n2n1
• InChI: InChI=1S/C25H33FN6O2.C22H25N7O2.C22H33N7O2.C17H21N7.2C16H20N6O2/c1-3-5-10-33-25-29-23(27)24-28-15-19(32(24)30-25)11-16-6-9-20(14-22(16)26)34-21-12-17-7-8-18(13-21)31(17)4-2;1-15-10-18(27-31-15)14-30-22-25-20(23)21-24-12-19(29(21)26-22)11-16-4-6-17(7-5-16)13-28-8-2-3-9-28;1-6-7-10-30-21-26-19(23)20-25-12-17(29(20)27-21)11-16-8-9-18(13-24-16)31-15-22(2,3)14-28(4)5;18-15-16-20-10-14(24(16)22-17(19)21-15)9-12-3-5-13(6-4-12)11-23-7-1-2-8-23;1-3-4-8-24-16-20-14(17)15-18-10-12(22(15)21-16)9-11-6-5-7-13(19-11)23-2;1-3-4-7-24-16-20-14(17)15-19-9-12(22(15)21-16)8-11-5-6-13(23-2)10-18-11/h6,9,14-15,17-18,21H,3-5,7-8,10-13H2,1-2H3,(H2,27,29,30);4-7,10,12H,2-3,8-9,11,13-14H2,1H3,(H2,23,25,26);8-9,12-13H,6-7,10-11,14-15H2,1-5H3,(H2,23,26,27);3-6,10H,1-2,7-9,11H2,(H4,18,19,21,22);5-7,10H,3-4,8-9H2,1-2H3,(H2,17,20,21);5-6,9-10H,3-4,7-8H2,1-2H3,(H2,17,20,21)/t17-,18+,21?
• InChIKey: ZTCCMTLEZFHSKO-FXMQOKLYSA-N
• XLogP: 14.85
• TPSA: 601.35 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 49
• Rotatable Bonds: 45
• Heavy Atoms: 168
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2295.77
LogP ≤ 5	14.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	49

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-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine?

The IUPAC name of 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine (CID 165109736) is 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine.

What is the SMILES notation for 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine?

The canonical SMILES for 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine is CCCCOc1nc(N)c2ncc(Cc3ccc(OC)cn3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OC4C[C@H]5CC[C@@H](C4)N5CC)cc3F)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCC(C)(C)CN(C)C)cn3)n2n1.CCCCOc1nc(N)c2ncc(Cc3cccc(OC)n3)n2n1.Cc1cc(COc2nc(N)c3ncc(Cc4ccc(CN5CCCC5)cc4)n3n2)no1.Nc1nc(N)c2ncc(Cc3ccc(CN4CCCC4)cc3)n2n1.

What is the InChIKey of 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine?

The InChIKey is ZTCCMTLEZFHSKO-FXMQOKLYSA-N. The full InChI is InChI=1S/C25H33FN6O2.C22H25N7O2.C22H33N7O2.C17H21N7.2C16H20N6O2/c1-3-5-10-33-25-29-23(27)24-28-15-19(32(24)30-25)11-16-6-9-20(14-22(16)26)34-21-12-17-7-8-18(13-21)31(17)4-2;1-15-10-18(27-31-15)14-30-22-25-20(23)21-24-12-19(29(21)26-22)11-16-4-6-17(7-5-16)13-28-8-2-3-9-28;1-6-7-10-30-21-26-19(23)20-25-12-17(29(20)27-21)11-16-8-9-18(13-24-16)31-15-22(2,3)14-28(4)5;18-15-16-20-10-14(24(16)22-17(19)21-15)9-12-3-5-13(6-4-12)11-23-7-1-2-8-23;1-3-4-8-24-16-20-14(17)15-18-10-12(22(15)21-16)9-11-6-5-7-13(19-11)23-2;1-3-4-7-24-16-20-14(17)15-19-9-12(22(15)21-16)8-11-5-6-13(23-2)10-18-11/h6,9,14-15,17-18,21H,3-5,7-8,10-13H2,1-2H3,(H2,27,29,30);4-7,10,12H,2-3,8-9,11,13-14H2,1H3,(H2,23,25,26);8-9,12-13H,6-7,10-11,14-15H2,1-5H3,(H2,23,26,27);3-6,10H,1-2,7-9,11H2,(H4,18,19,21,22);5-7,10H,3-4,8-9H2,1-2H3,(H2,17,20,21);5-6,9-10H,3-4,7-8H2,1-2H3,(H2,17,20,21)/t17-,18+,21?;;;;;.

What are the key properties of 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine?

2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine has a molecular weight of 2295.77 g/mol, XLogP of 14.85, 45 rotatable bonds, 7 hydrogen bond donors, and 49 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-7-[[5-[3-(dimethylamino)-2,2-dimethylpropoxy]-2-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[[(1R,5S)-8-ethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]-2-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(5-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[(6-methoxy-2-pyridinyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-[(5-methyl-1,2-oxazol-3-yl)methoxy]-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine is sourced from PubChem (CID 165109736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).