2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

C132H177ClFN35O10 — CID 164951525

About 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine

2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 164951525) has the molecular formula C132H177ClFN35O10 and a molecular weight of 2468.55 g/mol. Its IUPAC name is 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 164951525
• Molecular Formula: C132H177ClFN35O10
• Molecular Weight: 2468.55 g/mol
• Exact Mass: 2466.41
• IUPAC Name: 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CCCCOc1ccc(Cc2cnc3c(N)nc(OCCCC)nn23)cc1.CCCCOc1nc(N)c2ncc(Cc3ccc(-c4ccc(CN5CCCC5)cc4)cc3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(CC4CCCCC4)cc3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCCCN(C)C)c(Cl)c3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCCCN(C)C)c(F)c3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCCCN(C)C)nc3)n2n1
• InChI: InChI=1S/C27H32N6O.C23H31N5O.C21H29ClN6O2.C21H29FN6O2.C20H29N7O2.C20H27N5O2/c1-2-3-16-34-27-30-25(28)26-29-18-24(33(26)31-27)17-20-6-10-22(11-7-20)23-12-8-21(9-13-23)19-32-14-4-5-15-32;1-2-3-13-29-23-26-21(24)22-25-16-20(28(22)27-23)15-19-11-9-18(10-12-19)14-17-7-5-4-6-8-17;2*1-4-5-10-30-21-25-19(23)20-24-14-16(28(20)26-21)12-15-7-8-18(17(22)13-15)29-11-6-9-27(2)3;1-4-5-10-29-20-24-18(21)19-23-14-16(27(19)25-20)12-15-7-8-17(22-13-15)28-11-6-9-26(2)3;1-3-5-11-26-17-9-7-15(8-10-17)13-16-14-22-19-18(21)23-20(24-25(16)19)27-12-6-4-2/h6-13,18H,2-5,14-17,19H2,1H3,(H2,28,30,31);9-12,16-17H,2-8,13-15H2,1H3,(H2,24,26,27);2*7-8,13-14H,4-6,9-12H2,1-3H3,(H2,23,25,26);7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,24,25);7-10,14H,3-6,11-13H2,1-2H3,(H2,21,23,24)
• InChIKey: APFGVHUKLREYCH-UHFFFAOYSA-N
• XLogP: 21.60
• TPSA: 532.75 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 45
• Rotatable Bonds: 60
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2468.55
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	45

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-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine (CID 164951525) is 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine.

What is the SMILES notation for 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is CCCCOc1ccc(Cc2cnc3c(N)nc(OCCCC)nn23)cc1.CCCCOc1nc(N)c2ncc(Cc3ccc(-c4ccc(CN5CCCC5)cc4)cc3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(CC4CCCCC4)cc3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCCCN(C)C)c(Cl)c3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCCCN(C)C)c(F)c3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(OCCCN(C)C)nc3)n2n1.

What is the InChIKey of 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is APFGVHUKLREYCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O.C23H31N5O.C21H29ClN6O2.C21H29FN6O2.C20H29N7O2.C20H27N5O2/c1-2-3-16-34-27-30-25(28)26-29-18-24(33(26)31-27)17-20-6-10-22(11-7-20)23-12-8-21(9-13-23)19-32-14-4-5-15-32;1-2-3-13-29-23-26-21(24)22-25-16-20(28(22)27-23)15-19-11-9-18(10-12-19)14-17-7-5-4-6-8-17;2*1-4-5-10-30-21-25-19(23)20-24-14-16(28(20)26-21)12-15-7-8-18(17(22)13-15)29-11-6-9-27(2)3;1-4-5-10-29-20-24-18(21)19-23-14-16(27(19)25-20)12-15-7-8-17(22-13-15)28-11-6-9-26(2)3;1-3-5-11-26-17-9-7-15(8-10-17)13-16-14-22-19-18(21)23-20(24-25(16)19)27-12-6-4-2/h6-13,18H,2-5,14-17,19H2,1H3,(H2,28,30,31);9-12,16-17H,2-8,13-15H2,1H3,(H2,24,26,27);2*7-8,13-14H,4-6,9-12H2,1-3H3,(H2,23,25,26);7-8,13-14H,4-6,9-12H2,1-3H3,(H2,21,24,25);7-10,14H,3-6,11-13H2,1-2H3,(H2,21,23,24).

What are the key properties of 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine?

2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 2468.55 g/mol, XLogP of 21.60, 60 rotatable bonds, 6 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for 2-butoxy-7-[(4-butoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[3-chloro-4-[3-(dimethylamino)propoxy]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-(cyclohexylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[3-(dimethylamino)propoxy]-3-fluorophenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[6-[3-(dimethylamino)propoxy]-3-pyridinyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-butoxy-7-[[4-[4-(pyrrolidin-1-ylmethyl)phenyl]phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 164951525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).