5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole

C32H59N11 — CID 159913431

About 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole

5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole (PubChem CID 159913431) has the molecular formula C32H59N11 and a molecular weight of 597.90 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole
• PubChem CID: 159913431
• Molecular Formula: C32H59N11
• Molecular Weight: 597.90 g/mol
• Exact Mass: 597.50
• IUPAC Name: 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole
• SMILES: CCn1cnnc1C(C)(C)C.Cc1ncc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1cnnc1C(C)(C)C
• InChI: InChI=1S/C9H16N2.2C8H15N3.C7H13N3/c1-7-10-6-8(11(7)5)9(2,3)4;1-6-9-10-7(11(6)5)8(2,3)4;1-5-11-6-9-10-7(11)8(2,3)4;1-7(2,3)6-9-8-5-10(6)4/h6H,1-5H3;1-5H3;6H,5H2,1-4H3;5H,1-4H3
• InChIKey: NXLWHUXTFJZEDI-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 109.95 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 1
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	597.90
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole?

The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole (CID 159913431) is 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole.

What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole?

The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole is CCn1cnnc1C(C)(C)C.Cc1ncc(C(C)(C)C)n1C.Cc1nnc(C(C)(C)C)n1C.Cn1cnnc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole?

The InChIKey is NXLWHUXTFJZEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2.2C8H15N3.C7H13N3/c1-7-10-6-8(11(7)5)9(2,3)4;1-6-9-10-7(11(6)5)8(2,3)4;1-5-11-6-9-10-7(11)8(2,3)4;1-7(2,3)6-9-8-5-10(6)4/h6H,1-5H3;1-5H3;6H,5H2,1-4H3;5H,1-4H3.

What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole?

5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole has a molecular weight of 597.90 g/mol, XLogP of 6.16, 1 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1,2-dimethylimidazole;3-tert-butyl-4,5-dimethyl-1,2,4-triazole;3-tert-butyl-4-ethyl-1,2,4-triazole;3-tert-butyl-4-methyl-1,2,4-triazole is sourced from PubChem (CID 159913431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).