1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine

C161H283N28O2S2+ — CID 158845522

About 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine

1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine (PubChem CID 158845522) has the molecular formula C161H283N28O2S2+ and a molecular weight of 2707.36 g/mol. Its IUPAC name is 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine.

Molecular Properties

• Compound Name: 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine
• PubChem CID: 158845522
• Molecular Formula: C161H283N28O2S2+
• Molecular Weight: 2707.36 g/mol
• Exact Mass: 2705.23
• IUPAC Name: 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine
• SMILES: CCC1=NC(C)C(C(C)(C)C)=[N+]1C.CCc1nc(C(C)(C)C)n(C)n1.CCc1nc(C)c(C(C)(C)C)c(C)c1C.CCc1nc(C)c(C(C)(C)C)c(C)n1.CCc1nc(C)c(C(C)(C)C)nc1C.CCc1nc(C)c(C(C)(C)C)o1.CCc1nc(C)c(C(C)(C)C)s1.CCc1nc(C)n(C(C)(C)C)c1C.CCc1nc(C)n(C(C)(C)C)n1.CCc1nn(C)c(C(C)(C)C)c1C.CCc1nnc(C(C)(C)C)c(C)c1C.CCc1nnc(C(C)(C)C)n1C.CCc1noc(C(C)(C)C)c1C.CCc1nsc(C(C)(C)C)c1C.CCn1nc(C)c(C(C)(C)C)c1C
• InChI: InChI=1S/C14H23N.3C12H20N2.C11H21N2.3C11H20N2.2C10H17NO.2C10H17NS.3C9H17N3/c1-8-12-9(2)10(3)13(11(4)15-12)14(5,6)7;1-7-10-13-8(2)11(9(3)14-10)12(4,5)6;1-7-10-8(2)14-11(9(3)13-10)12(4,5)6;1-7-10-8(2)9(3)11(14-13-10)12(4,5)6;1-7-9-12-8(2)10(13(9)6)11(3,4)5;1-7-9-8(2)10(11(3,4)5)13(6)12-9;1-7-13-9(3)10(8(2)12-13)11(4,5)6;1-7-10-8(2)13(9(3)12-10)11(4,5)6;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-7-10-11-8(12(7)5)9(2,3)4;1-6-7-10-8(9(2,3)4)12(5)11-7;1-6-8-10-7(2)12(11-8)9(3,4)5/h8H2,1-7H3;3*7H2,1-6H3;8H,7H2,1-6H3;3*7H2,1-6H3;7*6H2,1-5H3/q;;;;+1
• InChIKey: RUZURDAKQSJGRJ-UHFFFAOYSA-N
• XLogP: 40.84
• TPSA: 329.03 Ų
• H-Bond Acceptors: 31
• Rotatable Bonds: 15
• Heavy Atoms: 193
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2707.36
LogP ≤ 5	40.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine?

The IUPAC name of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine (CID 158845522) is 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine.

What is the SMILES notation for 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine?

The canonical SMILES for 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine is CCC1=NC(C)C(C(C)(C)C)=[N+]1C.CCc1nc(C(C)(C)C)n(C)n1.CCc1nc(C)c(C(C)(C)C)c(C)c1C.CCc1nc(C)c(C(C)(C)C)c(C)n1.CCc1nc(C)c(C(C)(C)C)nc1C.CCc1nc(C)c(C(C)(C)C)o1.CCc1nc(C)c(C(C)(C)C)s1.CCc1nc(C)n(C(C)(C)C)c1C.CCc1nc(C)n(C(C)(C)C)n1.CCc1nn(C)c(C(C)(C)C)c1C.CCc1nnc(C(C)(C)C)c(C)c1C.CCc1nnc(C(C)(C)C)n1C.CCc1noc(C(C)(C)C)c1C.CCc1nsc(C(C)(C)C)c1C.CCn1nc(C)c(C(C)(C)C)c1C.

What is the InChIKey of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine?

The InChIKey is RUZURDAKQSJGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N.3C12H20N2.C11H21N2.3C11H20N2.2C10H17NO.2C10H17NS.3C9H17N3/c1-8-12-9(2)10(3)13(11(4)15-12)14(5,6)7;1-7-10-13-8(2)11(9(3)14-10)12(4,5)6;1-7-10-8(2)14-11(9(3)13-10)12(4,5)6;1-7-10-8(2)9(3)11(14-13-10)12(4,5)6;1-7-9-12-8(2)10(13(9)6)11(3,4)5;1-7-9-8(2)10(11(3,4)5)13(6)12-9;1-7-13-9(3)10(8(2)12-13)11(4,5)6;1-7-10-8(2)13(9(3)12-10)11(4,5)6;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-8-11-7(2)9(12-8)10(3,4)5;1-6-8-7(2)9(12-11-8)10(3,4)5;1-6-7-10-11-8(12(7)5)9(2,3)4;1-6-7-10-8(9(2,3)4)12(5)11-7;1-6-8-10-7(2)12(11-8)9(3,4)5/h8H2,1-7H3;3*7H2,1-6H3;8H,7H2,1-6H3;3*7H2,1-6H3;7*6H2,1-5H3/q;;;;+1;;;;;;;;;;.

What are the key properties of 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine?

1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine has a molecular weight of 2707.36 g/mol, XLogP of 40.84, 15 rotatable bonds, 0 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butyl-4-ethyl-2,5-dimethylimidazole;5-tert-butyl-2-ethyl-1,4-dimethyl-4H-imidazol-1-ium;2-tert-butyl-5-ethyl-3,6-dimethylpyrazine;4-tert-butyl-1-ethyl-3,5-dimethylpyrazole;5-tert-butyl-3-ethyl-1,4-dimethylpyrazole;3-tert-butyl-6-ethyl-4,5-dimethylpyridazine;5-tert-butyl-2-ethyl-4,6-dimethylpyrimidine;5-tert-butyl-2-ethyl-4-methyl-1,3-oxazole;5-tert-butyl-3-ethyl-4-methyl-1,2-oxazole;5-tert-butyl-2-ethyl-4-methyl-1,3-thiazole;5-tert-butyl-3-ethyl-4-methyl-1,2-thiazole;1-tert-butyl-3-ethyl-5-methyl-1,2,4-triazole;3-tert-butyl-5-ethyl-4-methyl-1,2,4-triazole;5-tert-butyl-3-ethyl-1-methyl-1,2,4-triazole;5-tert-butyl-2-ethyl-3,4,6-trimethylpyridine is sourced from PubChem (CID 158845522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).