1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium

C31H56N9OS+5 — CID 158460583

About 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium

1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium (PubChem CID 158460583) has the molecular formula C31H56N9OS+5 and a molecular weight of 602.92 g/mol. Its IUPAC name is 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium.

Molecular Properties

• Compound Name: 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium
• PubChem CID: 158460583
• Molecular Formula: C31H56N9OS+5
• Molecular Weight: 602.92 g/mol
• Exact Mass: 602.43
• IUPAC Name: 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium
• SMILES: Cc1c(C)[n+](C)cn1C.Cc1c[n+](C)n(C)c1C.Cc1nn(C)c[n+]1C.Cc1oc[n+](C)c1C.Cc1sc[n+](C)c1C
• InChI: InChI=1S/2C7H13N2.C6H10NO.C6H10NS.C5H10N3/c1-6-7(2)9(4)5-8(6)3;1-6-5-8(3)9(4)7(6)2;2*1-5-6(2)8-4-7(5)3;1-5-6-8(3)4-7(5)2/h2*5H,1-4H3;3*4H,1-3H3/q5*+1
• InChIKey: OZVAHGNJNBQIJU-UHFFFAOYSA-N
• XLogP: 2.40
• TPSA: 60.22 Ų
• H-Bond Acceptors: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	602.92
LogP ≤ 5	2.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium?

The IUPAC name of 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium (CID 158460583) is 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium.

What is the SMILES notation for 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium?

The canonical SMILES for 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium is Cc1c(C)[n+](C)cn1C.Cc1c[n+](C)n(C)c1C.Cc1nn(C)c[n+]1C.Cc1oc[n+](C)c1C.Cc1sc[n+](C)c1C.

What is the InChIKey of 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium?

The InChIKey is OZVAHGNJNBQIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H13N2.C6H10NO.C6H10NS.C5H10N3/c1-6-7(2)9(4)5-8(6)3;1-6-5-8(3)9(4)7(6)2;2*1-5-6(2)8-4-7(5)3;1-5-6-8(3)4-7(5)2/h2*5H,1-4H3;3*4H,1-3H3/q5*+1.

What are the key properties of 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium?

1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium has a molecular weight of 602.92 g/mol, XLogP of 2.40, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,4,5-tetramethylimidazol-1-ium;1,2,4,5-tetramethylpyrazol-2-ium;3,4,5-trimethyl-1,3-oxazol-3-ium;3,4,5-trimethyl-1,3-thiazol-3-ium;1,3,4-trimethyl-1,2,4-triazol-4-ium is sourced from PubChem (CID 158460583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).