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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole

C66H103N27O4S4 — CID 159173932

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 159173932) has the molecular formula C66H103N27O4S4 and a molecular weight of 1467.00 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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole.

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
• PubChem CID: 159173932
• Molecular Formula: C66H103N27O4S4
• Molecular Weight: 1467.00 g/mol
• Exact Mass: 1465.76
• 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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole
• SMILES: 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)n1C.Cc1nnc(C)o1.Cc1nnc(C)s1.Cc1noc(C)n1.Cc1nsc(C)n1
• InChI: InChI=1S/C6H10N2.2C5H9N3.2C5H8N2.2C5H7NO.2C5H7NS.C4H7N3.2C4H6N2O.2C4H6N2S/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/h4H,1-3H3;2*1-3H3;2*3-4H,1-2H3;5*3H,1-2H3;4*1-2H3
• InChIKey: KMAQMUQYZDYGBU-UHFFFAOYSA-N
• XLogP: 13.27
• TPSA: 352.83 Ų
• H-Bond Acceptors: 35
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1467.00
LogP ≤ 5	13.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	35

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole?

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole (CID 159173932) 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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole.

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole?

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole is 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)n1C.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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole?

The InChIKey is KMAQMUQYZDYGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2.2C5H9N3.2C5H8N2.2C5H7NO.2C5H7NS.C4H7N3.2C4H6N2O.2C4H6N2S/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/h4H,1-3H3;2*1-3H3;2*3-4H,1-2H3;5*3H,1-2H3;4*1-2H3.

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole?

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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 1467.00 g/mol, XLogP of 13.27, 0 rotatable bonds, 0 hydrogen bond donors, and 35 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;1,3,5-trimethylpyrazole;1,3,5-trimethyl-1,2,4-triazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 159173932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).