4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine

C103H127F3N32O4 — CID 165030808

About 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine

4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 165030808) has the molecular formula C103H127F3N32O4 and a molecular weight of 1934.36 g/mol. Its IUPAC name is 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

• Compound Name: 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
• PubChem CID: 165030808
• Molecular Formula: C103H127F3N32O4
• Molecular Weight: 1934.36 g/mol
• Exact Mass: 1933.07
• IUPAC Name: 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine
• SMILES: CCCCNc1nc(N)c2ncc(Cc3ccc(CN4CCCC4)cc3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(C4CCN(C)C4)cc3)n2n1.Nc1nc(=O)[nH]n2c(Cc3ccc(CN4CCCC4)cc3)cnc12.Nc1nc(OCCCC(F)(F)F)nn2c(Cc3ccc(CN4CCCC4)cc3)cnc12.Nc1nc(OCc2cccnc2)nn2c(Cc3ccc(CN4CCCC4)cc3)cnc12
• InChI: InChI=1S/C23H25N7O.C21H25F3N6O.C21H29N7.C21H28N6O.C17H20N6O/c24-21-22-26-14-20(12-17-5-7-18(8-6-17)15-29-10-1-2-11-29)30(22)28-23(27-21)31-16-19-4-3-9-25-13-19;22-21(23,24)8-3-11-31-20-27-18(25)19-26-13-17(30(19)28-20)12-15-4-6-16(7-5-15)14-29-9-1-2-10-29;1-2-3-10-23-21-25-19(22)20-24-14-18(28(20)26-21)13-16-6-8-17(9-7-16)15-27-11-4-5-12-27;1-3-4-11-28-21-24-19(22)20-23-13-18(27(20)25-21)12-15-5-7-16(8-6-15)17-9-10-26(2)14-17;18-15-16-19-10-14(23(16)21-17(24)20-15)9-12-3-5-13(6-4-12)11-22-7-1-2-8-22/h3-9,13-14H,1-2,10-12,15-16H2,(H2,24,27,28);4-7,13H,1-3,8-12,14H2,(H2,25,27,28);6-9,14H,2-5,10-13,15H2,1H3,(H3,22,23,25,26);5-8,13,17H,3-4,9-12,14H2,1-2H3,(H2,22,24,25);3-6,10H,1-2,7-9,11H2,(H3,18,20,21,24)
• InChIKey: MPUCWSAEOFGYSB-UHFFFAOYSA-N
• XLogP: 13.67
• TPSA: 434.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 34
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1934.36
LogP ≤ 5	13.67
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

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 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

The IUPAC name of 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine (CID 165030808) is 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(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 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

The canonical SMILES for 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine is CCCCNc1nc(N)c2ncc(Cc3ccc(CN4CCCC4)cc3)n2n1.CCCCOc1nc(N)c2ncc(Cc3ccc(C4CCN(C)C4)cc3)n2n1.Nc1nc(=O)[nH]n2c(Cc3ccc(CN4CCCC4)cc3)cnc12.Nc1nc(OCCCC(F)(F)F)nn2c(Cc3ccc(CN4CCCC4)cc3)cnc12.Nc1nc(OCc2cccnc2)nn2c(Cc3ccc(CN4CCCC4)cc3)cnc12.

What is the InChIKey of 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

The InChIKey is MPUCWSAEOFGYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O.C21H25F3N6O.C21H29N7.C21H28N6O.C17H20N6O/c24-21-22-26-14-20(12-17-5-7-18(8-6-17)15-29-10-1-2-11-29)30(22)28-23(27-21)31-16-19-4-3-9-25-13-19;22-21(23,24)8-3-11-31-20-27-18(25)19-26-13-17(30(19)28-20)12-15-4-6-16(7-5-15)14-29-9-1-2-10-29;1-2-3-10-23-21-25-19(22)20-24-14-18(28(20)26-21)13-16-6-8-17(9-7-16)15-27-11-4-5-12-27;1-3-4-11-28-21-24-19(22)20-23-13-18(27(20)25-21)12-15-5-7-16(8-6-15)17-9-10-26(2)14-17;18-15-16-19-10-14(23(16)21-17(24)20-15)9-12-3-5-13(6-4-12)11-22-7-1-2-8-22/h3-9,13-14H,1-2,10-12,15-16H2,(H2,24,27,28);4-7,13H,1-3,8-12,14H2,(H2,25,27,28);6-9,14H,2-5,10-13,15H2,1H3,(H3,22,23,25,26);5-8,13,17H,3-4,9-12,14H2,1-2H3,(H2,22,24,25);3-6,10H,1-2,7-9,11H2,(H3,18,20,21,24).

What are the key properties of 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-2-(4,4,4-trifluorobutoxy)imidazo[2,1-f][1,2,4]triazin-4-amine?

4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(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 1934.36 g/mol, XLogP of 13.67, 34 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-1H-imidazo[2,1-f][1,2,4]triazin-2-one;2-butoxy-7-[[4-(1-methylpyrrolidin-3-yl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;2-N-butyl-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazine-2,4-diamine;2-(pyridin-3-ylmethoxy)-7-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]imidazo[2,1-f][1,2,4]triazin-4-amine;7-[[4-(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 165030808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).