5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine

C100H167N21O2S — CID 158228519

About 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine

5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine (PubChem CID 158228519) has the molecular formula C100H167N21O2S and a molecular weight of 1727.65 g/mol. Its IUPAC name is 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine.

Molecular Properties

• Compound Name: 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine
• PubChem CID: 158228519
• Molecular Formula: C100H167N21O2S
• Molecular Weight: 1727.65 g/mol
• Exact Mass: 1726.33
• IUPAC Name: 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine
• SMILES: CC(=O)c1cc(C(C)(C)C)n(C)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC1=NCN=C1C(C)(C)C.CCn1ncnc1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1nccc1C(C)(C)C.Cn1ncnc1C(C)(C)C
• InChI: InChI=1S/C10H16N2O.C9H15N.2C9H13N.C8H15N3.4C8H14N2.C8H13NO.C8H13NS.C7H13N3/c1-7(13)8-6-9(10(2,3)4)12(5)11-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-5-11-7(8(2,3)4)9-6-10-11;2*1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-9-10(7)4;1-6-7(8(2,3)4)10-5-9-6;2*1-6-7(8(2,3)4)9-5-10-6;1-7(2,3)6-8-5-9-10(6)4/h6H,1-5H3;5-7H,1-4H3;2*4-7H,1-3H3;6H,5H2,1-4H3;3*5-6H,1-4H3;5H2,1-4H3;3*5H,1-4H3
• InChIKey: GECCUMPLNWQUBN-UHFFFAOYSA-N
• XLogP: 23.80
• TPSA: 244.12 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 2
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1727.65
LogP ≤ 5	23.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine?

The IUPAC name of 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine (CID 158228519) is 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine.

What is the SMILES notation for 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine?

The canonical SMILES for 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine is CC(=O)c1cc(C(C)(C)C)n(C)n1.CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC1=NCN=C1C(C)(C)C.CCn1ncnc1C(C)(C)C.Cc1ocnc1C(C)(C)C.Cc1scnc1C(C)(C)C.Cn1cccc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1ccnc1C(C)(C)C.Cn1nccc1C(C)(C)C.Cn1ncnc1C(C)(C)C.

What is the InChIKey of 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine?

The InChIKey is GECCUMPLNWQUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.C9H15N.2C9H13N.C8H15N3.4C8H14N2.C8H13NO.C8H13NS.C7H13N3/c1-7(13)8-6-9(10(2,3)4)12(5)11-8;1-9(2,3)8-6-5-7-10(8)4;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-5-11-7(8(2,3)4)9-6-10-11;2*1-8(2,3)7-9-5-6-10(7)4;1-8(2,3)7-5-6-9-10(7)4;1-6-7(8(2,3)4)10-5-9-6;2*1-6-7(8(2,3)4)9-5-10-6;1-7(2,3)6-8-5-9-10(6)4/h6H,1-5H3;5-7H,1-4H3;2*4-7H,1-3H3;6H,5H2,1-4H3;3*5-6H,1-4H3;5H2,1-4H3;3*5H,1-4H3.

What are the key properties of 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine?

5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine has a molecular weight of 1727.65 g/mol, XLogP of 23.80, 2 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-tert-butyl-1-ethyl-1,2,4-triazole;bis(2-tert-butyl-1-methylimidazole);4-tert-butyl-5-methyl-2H-imidazole;4-tert-butyl-5-methyl-1,3-oxazole;5-tert-butyl-1-methylpyrazole;1-(5-tert-butyl-1-methylpyrazol-3-yl)ethanone;2-tert-butyl-1-methylpyrrole;4-tert-butyl-5-methyl-1,3-thiazole;5-tert-butyl-1-methyl-1,2,4-triazole;2-tert-butylpyridine;3-tert-butylpyridine is sourced from PubChem (CID 158228519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).