2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium

C95H90F13N20+5 — CID 158142223

About 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium

2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium (PubChem CID 158142223) has the molecular formula C95H90F13N20+5 and a molecular weight of 1764.92 g/mol. Its IUPAC name is 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium.

Molecular Properties

• Compound Name: 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium
• PubChem CID: 158142223
• Molecular Formula: C95H90F13N20+5
• Molecular Weight: 1764.92 g/mol
• Exact Mass: 1763.78
• IUPAC Name: 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium
• SMILES: Cc1cc(C)c(C)c(-c2c3nc(C)c(C)nc3c(C(F)(F)F)n[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)c1.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C)cc(C)c2C)c2nc(F)c(F)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C)cc(C)c2C)c2nc3ccccc3nc12
• InChI: InChI=1S/C21H18F3N4.C21H21N4.C19H20F3N4.C17H14F5N4.C17H17F2N4/c1-11-9-12(2)13(3)14(10-11)19-17-18(20(21(22,23)24)27-28(19)4)26-16-8-6-5-7-15(16)25-17;1-12-10-13(2)14(3)16(11-12)21-20-19(15(4)24-25(21)5)22-17-8-6-7-9-18(17)23-20;1-9-7-10(2)11(3)14(8-9)17-15-16(24-13(5)12(4)23-15)18(19(20,21)22)25-26(17)6;1-7-5-8(2)9(3)10(6-7)13-11-12(24-16(19)15(18)23-11)14(17(20,21)22)25-26(13)4;1-8-6-9(2)10(3)12(7-8)15-14-13(11(4)22-23(15)5)20-16(18)17(19)21-14/h5-10H,1-4H3;6-11H,1-5H3;7-8H,1-6H3;5-6H,1-4H3;6-7H,1-5H3/q5*+1/i;4D3;;;4D3
• InChIKey: OGUDJDNPERSPCO-SRQCQFJKSA-N
• XLogP: 19.36
• TPSA: 212.75 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 7
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1764.92
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium?

The IUPAC name of 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium (CID 158142223) is 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium.

What is the SMILES notation for 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium?

The canonical SMILES for 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium is Cc1cc(C)c(C)c(-c2c3nc(C)c(C)nc3c(C(F)(F)F)n[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)c1.Cc1cc(C)c(C)c(-c2c3nc4ccccc4nc3c(C(F)(F)F)n[n+]2C)c1.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C)cc(C)c2C)c2nc(F)c(F)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C)cc(C)c2C)c2nc3ccccc3nc12.

What is the InChIKey of 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium?

The InChIKey is OGUDJDNPERSPCO-SRQCQFJKSA-N. The full InChI is InChI=1S/C21H18F3N4.C21H21N4.C19H20F3N4.C17H14F5N4.C17H17F2N4/c1-11-9-12(2)13(3)14(10-11)19-17-18(20(21(22,23)24)27-28(19)4)26-16-8-6-5-7-15(16)25-17;1-12-10-13(2)14(3)16(11-12)21-20-19(15(4)24-25(21)5)22-17-8-6-7-9-18(17)23-20;1-9-7-10(2)11(3)14(8-9)17-15-16(24-13(5)12(4)23-15)18(19(20,21)22)25-26(17)6;1-7-5-8(2)9(3)10(6-7)13-11-12(24-16(19)15(18)23-11)14(17(20,21)22)25-26(13)4;1-8-6-9(2)10(3)12(7-8)15-14-13(11(4)22-23(15)5)20-16(18)17(19)21-14/h5-10H,1-4H3;6-11H,1-5H3;7-8H,1-6H3;5-6H,1-4H3;6-7H,1-5H3/q5*+1/i;4D3;;;4D3.

What are the key properties of 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium?

2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium has a molecular weight of 1764.92 g/mol, XLogP of 19.36, 7 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-difluoro-6-methyl-8-(trideuteriomethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2,3-difluoro-6-methyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium;2-methyl-4-(trideuteriomethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2-methyl-4-(trifluoromethyl)-1-(2,3,5-trimethylphenyl)pyridazino[4,5-b]quinoxalin-2-ium;2,3,6-trimethyl-8-(trifluoromethyl)-5-(2,3,5-trimethylphenyl)pyrazino[2,3-d]pyridazin-6-ium is sourced from PubChem (CID 158142223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).