1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole

C56H95N21O2 — CID 159259847

About 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole

1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole (PubChem CID 159259847) has the molecular formula C56H95N21O2 and a molecular weight of 1094.52 g/mol. Its IUPAC name is 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole.

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
• PubChem CID: 159259847
• Molecular Formula: C56H95N21O2
• Molecular Weight: 1094.52 g/mol
• Exact Mass: 1093.80
• IUPAC Name: 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole
• SMILES: CC1CCN(C)C1.CN1CCN(C)CC1.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cncn1C.Cc1cnn(C)c1.Cc1nnc(C)o1.Cc1noc(C)n1
• InChI: InChI=1S/C7H9N.C6H14N2.C6H13N.5C5H8N2.C4H7N3.2C4H6N2O/c1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-5H,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;5*3-4H,1-2H3;3H,1-2H3;2*1-2H3
• InChIKey: KWJBZQMJRDZEDT-UHFFFAOYSA-N
• XLogP: 7.66
• TPSA: 220.26 Ų
• H-Bond Acceptors: 23
• Heavy Atoms: 79
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1094.52
LogP ≤ 5	7.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

The IUPAC name of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole (CID 159259847) is 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole.

What is the SMILES notation for 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

The canonical SMILES for 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole is CC1CCN(C)C1.CN1CCN(C)CC1.Cc1ccc(C)nc1.Cc1ccn(C)n1.Cc1ccnn1C.Cc1cn(C)cn1.Cc1cn(C)nn1.Cc1cncn1C.Cc1cnn(C)c1.Cc1nnc(C)o1.Cc1noc(C)n1.

What is the InChIKey of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

The InChIKey is KWJBZQMJRDZEDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H14N2.C6H13N.5C5H8N2.C4H7N3.2C4H6N2O/c1-6-3-4-7(2)8-5-6;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-5-3-7(2)4-6-5;1-5-3-6-4-7(5)2;1-5-3-6-7(2)4-5;1-5-3-4-7(2)6-5;1-5-3-4-6-7(5)2;1-4-3-7(2)6-5-4;1-3-5-6-4(2)7-3;1-3-5-4(2)7-6-3/h3-5H,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;5*3-4H,1-2H3;3H,1-2H3;2*1-2H3.

What are the key properties of 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole?

1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole has a molecular weight of 1094.52 g/mol, XLogP of 7.66, 0 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;1,5-dimethylimidazole;2,5-dimethyl-1,3,4-oxadiazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpiperazine;1,3-dimethylpyrazole;1,4-dimethylpyrazole;1,5-dimethylpyrazole;2,5-dimethylpyridine;1,3-dimethylpyrrolidine;1,4-dimethyltriazole is sourced from PubChem (CID 159259847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).