5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium

C96H98F10N16+4 — CID 159048079

About 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium

5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium (PubChem CID 159048079) has the molecular formula C96H98F10N16+4 and a molecular weight of 1671.97 g/mol. Its IUPAC name is 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium.

Molecular Properties

• Compound Name: 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
• PubChem CID: 159048079
• Molecular Formula: C96H98F10N16+4
• Molecular Weight: 1671.97 g/mol
• Exact Mass: 1670.84
• IUPAC Name: 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium
• SMILES: Cc1c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1nc2c(C(F)(F)F)n[n+](C)c(-c3cc(C(C)(C)C)c4ccccc4c3C)c2nc1C.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C(C)(C)C)c3ccccc3c2C)c2nc(C)c(C)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C(C)(C)C)c3ccccc3c2C)c2nc(F)c(F)nc12
• InChI: InChI=1S/C25H26F3N4.C25H29N4.C23H20F5N4.C23H23F2N4/c1-13-16-10-8-9-11-17(16)19(24(4,5)6)12-18(13)22-20-21(30-15(3)14(2)29-20)23(25(26,27)28)31-32(22)7;1-14-18-11-9-10-12-19(18)21(25(5,6)7)13-20(14)24-23-22(17(4)28-29(24)8)26-15(2)16(3)27-23;1-11-12-8-6-7-9-13(12)15(22(2,3)4)10-14(11)18-16-17(30-21(25)20(24)29-16)19(23(26,27)28)31-32(18)5;1-12-14-9-7-8-10-15(14)17(23(3,4)5)11-16(12)20-19-18(13(2)28-29(20)6)26-21(24)22(25)27-19/h8-12H,1-7H3;9-13H,1-8H3;6-10H,1-5H3;7-11H,1-6H3/q4*+1/i;4D3;;2D3
• InChIKey: GDQWIPOUJWICQI-NGDZNYSRSA-N
• XLogP: 21.55
• TPSA: 170.20 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1671.97
LogP ≤ 5	21.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?

The IUPAC name of 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium (CID 159048079) is 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium.

What is the SMILES notation for 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?

The canonical SMILES for 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium is Cc1c(-c2c3nc(F)c(F)nc3c(C(F)(F)F)n[n+]2C)cc(C(C)(C)C)c2ccccc12.Cc1nc2c(C(F)(F)F)n[n+](C)c(-c3cc(C(C)(C)C)c4ccccc4c3C)c2nc1C.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C(C)(C)C)c3ccccc3c2C)c2nc(C)c(C)nc12.[2H]C([2H])([2H])c1n[n+](C)c(-c2cc(C(C)(C)C)c3ccccc3c2C)c2nc(F)c(F)nc12.

What is the InChIKey of 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?

The InChIKey is GDQWIPOUJWICQI-NGDZNYSRSA-N. The full InChI is InChI=1S/C25H26F3N4.C25H29N4.C23H20F5N4.C23H23F2N4/c1-13-16-10-8-9-11-17(16)19(24(4,5)6)12-18(13)22-20-21(30-15(3)14(2)29-20)23(25(26,27)28)31-32(22)7;1-14-18-11-9-10-12-19(18)21(25(5,6)7)13-20(14)24-23-22(17(4)28-29(24)8)26-15(2)16(3)27-23;1-11-12-8-6-7-9-13(12)15(22(2,3)4)10-14(11)18-16-17(30-21(25)20(24)29-16)19(23(26,27)28)31-32(18)5;1-12-14-9-7-8-10-15(14)17(23(3,4)5)11-16(12)20-19-18(13(2)28-29(20)6)26-21(24)22(25)27-19/h8-12H,1-7H3;9-13H,1-8H3;6-10H,1-5H3;7-11H,1-6H3/q4*+1/i;4D3;;2D3.

What are the key properties of 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium?

5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium has a molecular weight of 1671.97 g/mol, XLogP of 21.55, 6 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3-difluoro-6-methyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trideuteriomethyl)pyrazino[2,3-d]pyridazin-6-ium;5-(4-tert-butyl-1-methylnaphthalen-2-yl)-2,3,6-trimethyl-8-(trifluoromethyl)pyrazino[2,3-d]pyridazin-6-ium is sourced from PubChem (CID 159048079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).