1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium

C67H108N27O4S4+ — CID 158575231

About 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium

1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium (PubChem CID 158575231) has the molecular formula C67H108N27O4S4+ and a molecular weight of 1484.05 g/mol. Its IUPAC name is 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium
• PubChem CID: 158575231
• Molecular Formula: C67H108N27O4S4+
• Molecular Weight: 1484.05 g/mol
• Exact Mass: 1482.80
• IUPAC Name: 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium
• SMILES: C.CC1=[N+](C)C(C)N=N1.Cc1cc(C)n(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1nc(C)n(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C6H10N2.C5H10N3.C5H9N3.2C5H8N2.2C5H7NO.2C5H7NS.C4H7N3.2C4H6N2O.2C4H6N2S.CH4/c1-5-4-6(2)8(3)7-5;1-4-6-7-5(2)8(4)3;1-4-6-5(2)8(3)7-4;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;/h2*4H,1-3H3;1-3H3;2*3-4H,1-2H3;5*3H,1-2H3;4*1-2H3;1H4/q;+1
• InChIKey: OCNCGMKOTFVAFP-UHFFFAOYSA-N
• XLogP: 14.33
• TPSA: 349.85 Ų
• H-Bond Acceptors: 34
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.05
LogP ≤ 5	14.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	34

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium?

The IUPAC name of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium (CID 158575231) is 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium.

What is the SMILES notation for 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium?

The canonical SMILES for 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium is C.CC1=[N+](C)C(C)N=N1.Cc1cc(C)n(C)n1.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cnc(C)o1.Cc1cnc(C)s1.Cc1cnn(C)c1.Cc1coc(C)n1.Cc1csc(C)n1.Cc1nc(C)n(C)n1.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1.

What is the InChIKey of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium?

The InChIKey is OCNCGMKOTFVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.C5H10N3.C5H9N3.2C5H8N2.2C5H7NO.2C5H7NS.C4H7N3.2C4H6N2O.2C4H6N2S.CH4/c1-5-4-6(2)8(3)7-5;1-4-6-7-5(2)8(4)3;1-4-6-5(2)8(3)7-4;1-5-3-7(2)4-6-5;1-5-3-6-7(2)4-5;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7-5(2)6-4;1-4-3-6-5(2)7-4;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3;/h2*4H,1-3H3;1-3H3;2*3-4H,1-2H3;5*3H,1-2H3;4*1-2H3;1H4/q;+1;;;;;;;;;;;;;.

What are the key properties of 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium?

1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium has a molecular weight of 1484.05 g/mol, XLogP of 14.33, 0 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1,3-oxazole;2,5-dimethyl-1,3-oxazole;1,4-dimethylpyrazole;2,5-dimethyl-1,3,4-thiadiazole;3,5-dimethyl-1,2,4-thiadiazole;2,4-dimethyl-1,3-thiazole;2,5-dimethyl-1,3-thiazole;1,4-dimethyltriazole;methane;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-3H-1,2,4-triazol-4-ium is sourced from PubChem (CID 158575231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).