2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium

C92H165N16OS+9 — CID 158302054

About 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium

2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium (PubChem CID 158302054) has the molecular formula C92H165N16OS+9 and a molecular weight of 1543.51 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium.

Molecular Properties

• Compound Name: 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium
• PubChem CID: 158302054
• Molecular Formula: C92H165N16OS+9
• Molecular Weight: 1543.51 g/mol
• Exact Mass: 1542.30
• IUPAC Name: 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium
• SMILES: Cc1c(C)[n+](C)c(C)n1C(C)C.Cc1c(C)c(C)[n+](C(C)C)c(C)c1C.Cc1c(C)n(C(C)C)[n+](C)c1C.Cc1n[n+](C(C)C)c(C)c(C)c1C.Cc1nc(C)[n+](C(C)C)c(C)c1C.Cc1nc(C)c(C)[n+](C(C)C)c1C.Cc1nn(C)c(C)[n+]1C(C)C.Cc1oc(C)[n+](C(C)C)c1C.Cc1sc(C)[n+](C(C)C)c1C
• InChI: InChI=1S/C13H22N.3C11H19N2.2C10H19N2.C9H16NO.C9H16NS.C8H16N3/c1-8(2)14-12(6)10(4)9(3)11(5)13(14)7;1-7(2)13-10(5)8(3)12-9(4)11(13)6;1-7(2)13-10(5)8(3)9(4)12-11(13)6;1-7(2)13-11(6)9(4)8(3)10(5)12-13;1-7(2)12-9(4)8(3)11(6)10(12)5;1-7(2)12-10(5)8(3)9(4)11(12)6;2*1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)11-7(3)9-10(5)8(11)4/h8H,1-7H3;3*7H,1-6H3;2*7H,1-6H3;3*6H,1-5H3/q9*+1
• InChIKey: ZDPHVMCFCWCCQX-UHFFFAOYSA-N
• XLogP: 18.81
• TPSA: 114.41 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1543.51
LogP ≤ 5	18.81
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 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium?

The IUPAC name of 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium (CID 158302054) is 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium.

What is the SMILES notation for 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium?

The canonical SMILES for 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium is Cc1c(C)[n+](C)c(C)n1C(C)C.Cc1c(C)c(C)[n+](C(C)C)c(C)c1C.Cc1c(C)n(C(C)C)[n+](C)c1C.Cc1n[n+](C(C)C)c(C)c(C)c1C.Cc1nc(C)[n+](C(C)C)c(C)c1C.Cc1nc(C)c(C)[n+](C(C)C)c1C.Cc1nn(C)c(C)[n+]1C(C)C.Cc1oc(C)[n+](C(C)C)c1C.Cc1sc(C)[n+](C(C)C)c1C.

What is the InChIKey of 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium?

The InChIKey is ZDPHVMCFCWCCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N.3C11H19N2.2C10H19N2.C9H16NO.C9H16NS.C8H16N3/c1-8(2)14-12(6)10(4)9(3)11(5)13(14)7;1-7(2)13-10(5)8(3)12-9(4)11(13)6;1-7(2)13-10(5)8(3)9(4)12-11(13)6;1-7(2)13-11(6)9(4)8(3)10(5)12-13;1-7(2)12-9(4)8(3)11(6)10(12)5;1-7(2)12-10(5)8(3)9(4)11(12)6;2*1-6(2)10-7(3)8(4)11-9(10)5;1-6(2)11-7(3)9-10(5)8(11)4/h8H,1-7H3;3*7H,1-6H3;2*7H,1-6H3;3*6H,1-5H3/q9*+1.

What are the key properties of 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium?

2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium has a molecular weight of 1543.51 g/mol, XLogP of 18.81, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3,4,5,6-pentamethyl-1-propan-2-ylpyridin-1-ium;1,2,4,5-tetramethyl-3-propan-2-ylimidazol-1-ium;2,3,5,6-tetramethyl-1-propan-2-ylpyrazin-1-ium;2,3,4,5-tetramethyl-1-propan-2-ylpyrazol-2-ium;3,4,5,6-tetramethyl-1-propan-2-ylpyridazin-1-ium;2,4,5,6-tetramethyl-1-propan-2-ylpyrimidin-1-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-oxazol-3-ium;2,4,5-trimethyl-3-propan-2-yl-1,3-thiazol-3-ium;1,3,5-trimethyl-4-propan-2-yl-1,2,4-triazol-4-ium is sourced from PubChem (CID 158302054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).