1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium

C88H93F3N16+4 — CID 158133413

About 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium

1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium (PubChem CID 158133413) has the molecular formula C88H93F3N16+4 and a molecular weight of 1434.84 g/mol. Its IUPAC name is 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium.

Molecular Properties

• Compound Name: 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium
• PubChem CID: 158133413
• Molecular Formula: C88H93F3N16+4
• Molecular Weight: 1434.84 g/mol
• Exact Mass: 1433.79
• IUPAC Name: 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium
• SMILES: Cc1cc(C)c(-c2nc3nc(C(F)(F)F)c(C)nc3[n+](C)c2-c2cc(C)cc(C)c2C)c(C)c1.Cc1cc(C)c(C)c(-c2c(C)nc3nc4ccccc4nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2nc3nc4ccccc4nc3c(C)[n+]2C)c1.[2H]C([2H])([2H])c1nc2nc(C)c(-c3cc(C)cc(C)c3C)[n+](C)c2nc1C
• InChI: InChI=1S/C27H28F3N4.2C21H21N4.C19H23N4/c1-13-10-16(4)21(17(5)11-13)22-23(20-12-14(2)9-15(3)18(20)6)34(8)26-25(32-22)33-24(19(7)31-26)27(28,29)30;1-12-10-13(2)14(3)16(11-12)21-24-20-19(15(4)25(21)5)22-17-8-6-7-9-18(17)23-20;1-12-10-13(2)14(3)16(11-12)19-15(4)22-20-21(25(19)5)24-18-9-7-6-8-17(18)23-20;1-10-8-11(2)12(3)16(9-10)17-15(6)21-18-19(23(17)7)22-14(5)13(4)20-18/h9-12H,1-8H3;2*6-11H,1-5H3;8-9H,1-7H3/q4*+1/i;;;4D3
• InChIKey: JXZWNUVOSCSPOR-VEIUQJKHSA-N
• XLogP: 17.53
• TPSA: 170.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1434.84
LogP ≤ 5	17.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium?

The IUPAC name of 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium (CID 158133413) is 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium.

What is the SMILES notation for 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium?

The canonical SMILES for 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium is Cc1cc(C)c(-c2nc3nc(C(F)(F)F)c(C)nc3[n+](C)c2-c2cc(C)cc(C)c2C)c(C)c1.Cc1cc(C)c(C)c(-c2c(C)nc3nc4ccccc4nc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2nc3nc4ccccc4nc3c(C)[n+]2C)c1.[2H]C([2H])([2H])c1nc2nc(C)c(-c3cc(C)cc(C)c3C)[n+](C)c2nc1C.

What is the InChIKey of 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium?

The InChIKey is JXZWNUVOSCSPOR-VEIUQJKHSA-N. The full InChI is InChI=1S/C27H28F3N4.2C21H21N4.C19H23N4/c1-13-10-16(4)21(17(5)11-13)22-23(20-12-14(2)9-15(3)18(20)6)34(8)26-25(32-22)33-24(19(7)31-26)27(28,29)30;1-12-10-13(2)14(3)16(11-12)21-24-20-19(15(4)25(21)5)22-17-8-6-7-9-18(17)23-20;1-12-10-13(2)14(3)16(11-12)19-15(4)22-20-21(25(19)5)24-18-9-7-6-8-17(18)23-20;1-10-8-11(2)12(3)16(9-10)17-15(6)21-18-19(23(17)7)22-14(5)13(4)20-18/h9-12H,1-8H3;2*6-11H,1-5H3;8-9H,1-7H3/q4*+1/i;;;4D3.

What are the key properties of 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium?

1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium has a molecular weight of 1434.84 g/mol, XLogP of 17.53, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1,7-dimethyl-6-(trifluoromethyl)-2-(2,3,5-trimethylphenyl)-3-(2,4,6-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium;3,4-dimethyl-2-(2,3,5-trimethylphenyl)benzo[g]pteridin-3-ium;2,4-dimethyl-3-(2,3,5-trimethylphenyl)pyrazino[2,3-b]quinoxalin-4-ium;1,3,7-trimethyl-6-(trideuteriomethyl)-2-(2,3,5-trimethylphenyl)pyrazino[2,3-b]pyrazin-1-ium is sourced from PubChem (CID 158133413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).