1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)

C43H72N18O — CID 159189858

About 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)

1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole) (PubChem CID 159189858) has the molecular formula C43H72N18O and a molecular weight of 857.17 g/mol. Its IUPAC name is 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole).

Molecular Properties

• Compound Name: 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)
• PubChem CID: 159189858
• Molecular Formula: C43H72N18O
• Molecular Weight: 857.17 g/mol
• Exact Mass: 856.61
• IUPAC Name: 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)
• SMILES: Cc1cc(C)n(C)n1.Cc1cc(C)n(C)n1.Cc1cn(C)cn1.Cc1cnn(C)c1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1noc(C)n1
• InChI: InChI=1S/C7H12N2.2C6H10N2.2C5H9N3.2C5H8N2.C4H6N2O/c1-5-6(2)8-9(4)7(5)3;2*1-5-4-6(2)8(3)7-5;2*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;1-3-5-4(2)7-6-3/h1-4H3;2*4H,1-3H3;2*1-3H3;2*3-4H,1-2H3;1-2H3
• InChIKey: KNYIOYPZYAMLQZ-UHFFFAOYSA-N
• XLogP: 6.43
• TPSA: 189.44 Ų
• H-Bond Acceptors: 19
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	857.17
LogP ≤ 5	6.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)?

The IUPAC name of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole) (CID 159189858) is 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole).

What is the SMILES notation for 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)?

The canonical SMILES for 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole) is Cc1cc(C)n(C)n1.Cc1cc(C)n(C)n1.Cc1cn(C)cn1.Cc1cnn(C)c1.Cc1nc(C)n(C)n1.Cc1nc(C)n(C)n1.Cc1nn(C)c(C)c1C.Cc1noc(C)n1.

What is the InChIKey of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)?

The InChIKey is KNYIOYPZYAMLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.2C6H10N2.2C5H9N3.2C5H8N2.C4H6N2O/c1-5-6(2)8-9(4)7(5)3;2*1-5-4-6(2)8(3)7-5;2*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;1-3-5-4(2)7-6-3/h1-4H3;2*4H,1-3H3;2*1-3H3;2*3-4H,1-2H3;1-2H3.

What are the key properties of 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole)?

1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole) has a molecular weight of 857.17 g/mol, XLogP of 6.43, 0 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-dimethylimidazole;3,5-dimethyl-1,2,4-oxadiazole;1,4-dimethylpyrazole;1,3,4,5-tetramethylpyrazole;bis(1,3,5-trimethylpyrazole);bis(1,3,5-trimethyl-1,2,4-triazole) is sourced from PubChem (CID 159189858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).