3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C126H117FN42O6P6 — CID 163499522

About 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 163499522) has the molecular formula C126H117FN42O6P6 and a molecular weight of 2520.45 g/mol. Its IUPAC name is 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

• Compound Name: 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
• PubChem CID: 163499522
• Molecular Formula: C126H117FN42O6P6
• Molecular Weight: 2520.45 g/mol
• Exact Mass: 2518.86
• IUPAC Name: 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
• SMILES: CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)c1ccc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1.CP(C)(=O)c1ccc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)c1.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.[H]/N=N/c1ncc(-c2cnn(CP(C)(C)=O)c2)nc1NCc1ccc2cccn2c1
• InChI: InChI=1S/C22H19FN7OP.C22H20N7OP.C22H19N6OP.C21H19N6OP.C20H19N8OP.C19H21N8OP/c1-32(2,31)19-8-6-16(11-17(19)23)26-20-12-25-21-22(27-20)30(29-28-21)13-14-5-7-18-15(10-14)4-3-9-24-18;1-31(2,30)18-8-6-17(7-9-18)25-20-13-24-21-22(26-20)29(28-27-21)14-15-5-10-19-16(12-15)4-3-11-23-19;1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-19-16(11-15)6-4-10-23-19;1-29(2,28)18-7-3-5-16(11-18)19-12-22-20-21(23-19)27(25-24-20)14-15-8-9-17-6-4-10-26(17)13-15;1-30(2,29)13-27-12-16(9-23-27)18-10-22-19-20(24-18)28(26-25-19)11-14-5-6-17-15(8-14)4-3-7-21-17;1-29(2,28)13-27-12-15(9-23-27)17-10-22-19(25-20)18(24-17)21-8-14-5-6-16-4-3-7-26(16)11-14/h3-12H,13H2,1-2H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);3-13H,14H2,1-2H3;3-13H,14H2,1-2H3;3-10,12H,11,13H2,1-2H3;3-7,9-12,20H,8,13H2,1-2H3,(H,21,24)/b;;;;;25-20+
• InChIKey: CTNDLAFAKZKIMR-QWOAWIBVSA-N
• XLogP: 22.64
• TPSA: 578.97 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 48
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2520.45
LogP ≤ 5	22.64
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	48

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

The IUPAC name of 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 163499522) is 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

What is the SMILES notation for 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

The canonical SMILES for 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is CP(C)(=O)Cn1cc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cn1.CP(C)(=O)c1ccc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1.CP(C)(=O)c1ccc(Nc2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5cccn5c4)c3n2)c1.CP(C)(=O)c1cccc(-c2cnc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.[H]/N=N/c1ncc(-c2cnn(CP(C)(C)=O)c2)nc1NCc1ccc2cccn2c1.

What is the InChIKey of 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

The InChIKey is CTNDLAFAKZKIMR-QWOAWIBVSA-N. The full InChI is InChI=1S/C22H19FN7OP.C22H20N7OP.C22H19N6OP.C21H19N6OP.C20H19N8OP.C19H21N8OP/c1-32(2,31)19-8-6-16(11-17(19)23)26-20-12-25-21-22(27-20)30(29-28-21)13-14-5-7-18-15(10-14)4-3-9-24-18;1-31(2,30)18-8-6-17(7-9-18)25-20-13-24-21-22(26-20)29(28-27-21)14-15-5-10-19-16(12-15)4-3-11-23-19;1-30(2,29)18-7-3-5-17(12-18)20-13-24-21-22(25-20)28(27-26-21)14-15-8-9-19-16(11-15)6-4-10-23-19;1-29(2,28)18-7-3-5-16(11-18)19-12-22-20-21(23-19)27(25-24-20)14-15-8-9-17-6-4-10-26(17)13-15;1-30(2,29)13-27-12-16(9-23-27)18-10-22-19-20(24-18)28(26-25-19)11-14-5-6-17-15(8-14)4-3-7-21-17;1-29(2,28)13-27-12-15(9-23-27)17-10-22-19(25-20)18(24-17)21-8-14-5-6-16-4-3-7-26(16)11-14/h3-12H,13H2,1-2H3,(H,26,27);3-13H,14H2,1-2H3,(H,25,26);3-13H,14H2,1-2H3;3-13H,14H2,1-2H3;3-10,12H,11,13H2,1-2H3;3-7,9-12,20H,8,13H2,1-2H3,(H,21,24)/b;;;;;25-20+.

What are the key properties of 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?

3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 2520.45 g/mol, XLogP of 22.64, 30 rotatable bonds, 4 hydrogen bond donors, and 48 hydrogen bond acceptors.

Where does this data come from?

All data for 3-diazenyl-6-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]-N-(indolizin-6-ylmethyl)pyrazin-2-amine;N-(4-dimethylphosphoryl-3-fluorophenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-[1-(dimethylphosphorylmethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline;5-(3-dimethylphosphorylphenyl)-3-(indolizin-6-ylmethyl)triazolo[4,5-b]pyrazine;N-(4-dimethylphosphorylphenyl)-3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-amine;6-[[5-(3-dimethylphosphorylphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 163499522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).