1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium

C97H112N13+5 — CID 157093399

About 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium

1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium (PubChem CID 157093399) has the molecular formula C97H112N13+5 and a molecular weight of 1460.05 g/mol. Its IUPAC name is 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium.

Molecular Properties

• Compound Name: 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium
• PubChem CID: 157093399
• Molecular Formula: C97H112N13+5
• Molecular Weight: 1460.05 g/mol
• Exact Mass: 1458.91
• IUPAC Name: 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium
• SMILES: Cc1cc(C)c(C)c(-c2cnc3c(C(C)C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3cnccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(C(C)C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1
• InChI: InChI=1S/C21H26N3.C21H25N2.C20H24N3.C18H19N2.C17H18N3/c1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5;1-13(2)17-8-7-9-19-21(17)22-12-20(23(19)6)18-11-14(3)10-15(4)16(18)5;1-12(2)16-9-18-20(21-10-16)22-11-19(23(18)6)17-8-13(3)7-14(4)15(17)5;1-12-9-13(2)14(3)15(10-12)18-11-19-16-7-5-6-8-17(16)20(18)4;1-11-7-12(2)13(3)14(8-11)17-10-19-15-9-18-6-5-16(15)20(17)4/h8-13H,7H2,1-6H3;7-13H,1-6H3;7-12H,1-6H3;5-11H,1-4H3;5-10H,1-4H3/q5*+1
• InChIKey: HAQVLKQMJYZLNX-UHFFFAOYSA-N
• XLogP: 19.89
• TPSA: 122.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1460.05
LogP ≤ 5	19.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium?

The IUPAC name of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium (CID 157093399) is 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium.

What is the SMILES notation for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium?

The canonical SMILES for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium is Cc1cc(C)c(C)c(-c2cnc3c(C(C)C)cccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ccccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3cnccc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(C(C)C)cc3[n+]2C)c1.Cc1cc(C)c(C)c(-c2cnc3ncc(CC(C)C)cc3[n+]2C)c1.

What is the InChIKey of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium?

The InChIKey is HAQVLKQMJYZLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N3.C21H25N2.C20H24N3.C18H19N2.C17H18N3/c1-13(2)7-17-10-19-21(22-11-17)23-12-20(24(19)6)18-9-14(3)8-15(4)16(18)5;1-13(2)17-8-7-9-19-21(17)22-12-20(23(19)6)18-11-14(3)10-15(4)16(18)5;1-12(2)16-9-18-20(21-10-16)22-11-19(23(18)6)17-8-13(3)7-14(4)15(17)5;1-12-9-13(2)14(3)15(10-12)18-11-19-16-7-5-6-8-17(16)20(18)4;1-11-7-12(2)13(3)14(8-11)17-10-19-15-9-18-6-5-16(15)20(17)4/h8-13H,7H2,1-6H3;7-13H,1-6H3;7-12H,1-6H3;5-11H,1-4H3;5-10H,1-4H3/q5*+1.

What are the key properties of 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium?

1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium has a molecular weight of 1460.05 g/mol, XLogP of 19.89, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-methyl-7-(2-methylpropyl)-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-7-propan-2-yl-2-(2,3,5-trimethylphenyl)pyrido[2,3-b]pyrazin-1-ium;1-methyl-5-propan-2-yl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)pyrido[3,4-b]pyrazin-1-ium;1-methyl-2-(2,3,5-trimethylphenyl)quinoxalin-1-ium is sourced from PubChem (CID 157093399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).