1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium

C74H129N16OS+9 — CID 158178496

About 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium

1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium (PubChem CID 158178496) has the molecular formula C74H129N16OS+9 and a molecular weight of 1291.02 g/mol. Its IUPAC name is 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium.

Molecular Properties

• Compound Name: 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
• PubChem CID: 158178496
• Molecular Formula: C74H129N16OS+9
• Molecular Weight: 1291.02 g/mol
• Exact Mass: 1290.02
• IUPAC Name: 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium
• SMILES: Cc1c(C)[n+](C)c(C)n1C.Cc1c(C)c(C)[n+](C)c(C)c1C.Cc1c(C)n(C)[n+](C)c1C.Cc1n[n+](C)c(C)c(C)c1C.Cc1nc(C)[n+](C)c(C)c1C.Cc1nc(C)c(C)[n+](C)c1C.Cc1nn(C)c(C)[n+]1C.Cc1oc(C)[n+](C)c1C.Cc1sc(C)[n+](C)c1C
• InChI: InChI=1S/C11H18N.3C9H15N2.2C8H15N2.C7H12NO.C7H12NS.C6H12N3/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-8(3)11(5)9(4)7(2)10-6;1-6-7(2)10-9(4)11(5)8(6)3;1-6-7(2)9(4)11(5)10-8(6)3;1-6-7(2)10(5)8(3)9(6)4;1-6-7(2)9(4)10(5)8(6)3;2*1-5-6(2)9-7(3)8(5)4;1-5-7-9(4)6(2)8(5)3/h1-6H3;3*1-5H3;2*1-5H3;3*1-4H3/q9*+1
• InChIKey: SYBWZBQCSUHKIQ-UHFFFAOYSA-N
• XLogP: 9.41
• TPSA: 114.41 Ų
• H-Bond Acceptors: 9
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1291.02
LogP ≤ 5	9.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium?

The IUPAC name of 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium (CID 158178496) is 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium.

What is the SMILES notation for 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium?

The canonical SMILES for 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium is Cc1c(C)[n+](C)c(C)n1C.Cc1c(C)c(C)[n+](C)c(C)c1C.Cc1c(C)n(C)[n+](C)c1C.Cc1n[n+](C)c(C)c(C)c1C.Cc1nc(C)[n+](C)c(C)c1C.Cc1nc(C)c(C)[n+](C)c1C.Cc1nn(C)c(C)[n+]1C.Cc1oc(C)[n+](C)c1C.Cc1sc(C)[n+](C)c1C.

What is the InChIKey of 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium?

The InChIKey is SYBWZBQCSUHKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N.3C9H15N2.2C8H15N2.C7H12NO.C7H12NS.C6H12N3/c1-7-8(2)10(4)12(6)11(5)9(7)3;1-6-8(3)11(5)9(4)7(2)10-6;1-6-7(2)10-9(4)11(5)8(6)3;1-6-7(2)9(4)11(5)10-8(6)3;1-6-7(2)10(5)8(3)9(6)4;1-6-7(2)9(4)10(5)8(6)3;2*1-5-6(2)9-7(3)8(5)4;1-5-7-9(4)6(2)8(5)3/h1-6H3;3*1-5H3;2*1-5H3;3*1-4H3/q9*+1.

What are the key properties of 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium?

1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium has a molecular weight of 1291.02 g/mol, XLogP of 9.41, 0 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1,2,3,4,5,6-hexamethylpyridin-1-ium;1,2,3,4,5-pentamethylimidazol-1-ium;1,2,3,5,6-pentamethylpyrazin-1-ium;1,2,3,4,5-pentamethylpyrazol-2-ium;1,3,4,5,6-pentamethylpyridazin-1-ium;1,2,4,5,6-pentamethylpyrimidin-1-ium;2,3,4,5-tetramethyl-1,3-oxazol-3-ium;2,3,4,5-tetramethyl-1,3-thiazol-3-ium;1,3,4,5-tetramethyl-1,2,4-triazol-4-ium is sourced from PubChem (CID 158178496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).