tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium

C194H277Cl9N55O18+9 — CID 157110522

About tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium

tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium (PubChem CID 157110522) has the molecular formula C194H277Cl9N55O18+9 and a molecular weight of 3986.79 g/mol. Its IUPAC name is tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium.

Molecular Properties

• Compound Name: tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium
• PubChem CID: 157110522
• Molecular Formula: C194H277Cl9N55O18+9
• Molecular Weight: 3986.79 g/mol
• Exact Mass: 3979.96
• IUPAC Name: tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium
• SMILES: C[N+](C)(CCCCC(=O)CCc1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCC(=O)Cc1c[nH]c2ccccc12)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCC(=O)Cc1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.Cc1ccc(C(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(C(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CC(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CC(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CC(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1
• InChI: InChI=1S/C23H30ClN7O2.4C22H31ClN6O2.3C21H29ClN6O2.C20H27ClN6O2/c1-31(2,12-10-27-23(33)19-21(25)30-22(26)20(24)29-19)11-6-5-7-16(32)13-15-14-28-18-9-4-3-8-17(15)18;3*1-15-7-9-16(10-8-15)14-17(30)6-4-5-12-29(2,3)13-11-26-22(31)18-20(24)28-21(25)19(23)27-18;1-29(2,14-7-6-10-17(30)12-11-16-8-4-3-5-9-16)15-13-26-22(31)18-20(24)28-21(25)19(23)27-18;2*1-14-7-9-15(10-8-14)16(29)6-4-5-12-28(2,3)13-11-25-21(30)17-19(23)27-20(24)18(22)26-17;1-28(2,12-7-6-10-16(29)14-15-8-4-3-5-9-15)13-11-25-21(30)17-19(23)27-20(24)18(22)26-17;1-27(2,12-7-6-10-15(28)14-8-4-3-5-9-14)13-11-24-20(29)16-18(22)26-19(23)17(21)25-16/h3-4,8-9,14,28H,5-7,10-13H2,1-2H3,(H4-,25,26,27,30,33);3*7-10H,4-6,11-14H2,1-3H3,(H4-,24,25,26,28,31);3-5,8-9H,6-7,10-15H2,1-2H3,(H4-,24,25,26,28,31);2*7-10H,4-6,11-13H2,1-3H3,(H4-,23,24,25,27,30);3-5,8-9H,6-7,10-14H2,1-2H3,(H4-,23,24,25,27,30);3-5,8-9H,6-7,10-13H2,1-2H3,(H4-,22,23,24,26,29)/p+9
• InChIKey: AGUIGWGGPVNHPN-UHFFFAOYSA-W
• XLogP: 21.37
• TPSA: 1131.70 Ų
• H-Bond Donors: 28
• H-Bond Acceptors: 54
• Rotatable Bonds: 97
• Heavy Atoms: 276
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3986.79
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	28
H-Bond Acceptors ≤ 10	54

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?

The IUPAC name of tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium (CID 157110522) is tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium.

What is the SMILES notation for tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?

The canonical SMILES for tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium is C[N+](C)(CCCCC(=O)CCc1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCC(=O)Cc1c[nH]c2ccccc12)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCC(=O)Cc1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.C[N+](C)(CCCCC(=O)c1ccccc1)CCNC(=O)c1nc(Cl)c(N)nc1N.Cc1ccc(C(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(C(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CC(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CC(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.Cc1ccc(CC(=O)CCCC[N+](C)(C)CCNC(=O)c2nc(Cl)c(N)nc2N)cc1.

What is the InChIKey of tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?

The InChIKey is AGUIGWGGPVNHPN-UHFFFAOYSA-W. The full InChI is InChI=1S/C23H30ClN7O2.4C22H31ClN6O2.3C21H29ClN6O2.C20H27ClN6O2/c1-31(2,12-10-27-23(33)19-21(25)30-22(26)20(24)29-19)11-6-5-7-16(32)13-15-14-28-18-9-4-3-8-17(15)18;3*1-15-7-9-16(10-8-15)14-17(30)6-4-5-12-29(2,3)13-11-26-22(31)18-20(24)28-21(25)19(23)27-18;1-29(2,14-7-6-10-17(30)12-11-16-8-4-3-5-9-16)15-13-26-22(31)18-20(24)28-21(25)19(23)27-18;2*1-14-7-9-15(10-8-14)16(29)6-4-5-12-28(2,3)13-11-25-21(30)17-19(23)27-20(24)18(22)26-17;1-28(2,12-7-6-10-16(29)14-15-8-4-3-5-9-15)13-11-25-21(30)17-19(23)27-20(24)18(22)26-17;1-27(2,12-7-6-10-15(28)14-8-4-3-5-9-14)13-11-24-20(29)16-18(22)26-19(23)17(21)25-16/h3-4,8-9,14,28H,5-7,10-13H2,1-2H3,(H4-,25,26,27,30,33);3*7-10H,4-6,11-14H2,1-3H3,(H4-,24,25,26,28,31);3-5,8-9H,6-7,10-15H2,1-2H3,(H4-,24,25,26,28,31);2*7-10H,4-6,11-13H2,1-3H3,(H4-,23,24,25,27,30);3-5,8-9H,6-7,10-14H2,1-2H3,(H4-,23,24,25,27,30);3-5,8-9H,6-7,10-13H2,1-2H3,(H4-,22,23,24,26,29)/p+9.

What are the key properties of tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium?

tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium has a molecular weight of 3986.79 g/mol, XLogP of 21.37, 97 rotatable bonds, 28 hydrogen bond donors, and 54 hydrogen bond acceptors.

Where does this data come from?

All data for tris(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[6-(4-methylphenyl)-5-oxohexyl]azanium);bis(2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-[5-(4-methylphenyl)-5-oxopentyl]azanium);2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-7-phenylheptyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-6-phenylhexyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-dimethyl-(5-oxo-5-phenylpentyl)azanium;2-[(3,5-diamino-6-chloropyrazine-2-carbonyl)amino]ethyl-[6-(1H-indol-3-yl)-5-oxohexyl]-dimethylazanium is sourced from PubChem (CID 157110522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).