1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole

C99H164N28OS — CID 162098244

About 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole

1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole (PubChem CID 162098244) has the molecular formula C99H164N28OS and a molecular weight of 1794.66 g/mol. Its IUPAC name is 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole
• PubChem CID: 162098244
• Molecular Formula: C99H164N28OS
• Molecular Weight: 1794.66 g/mol
• Exact Mass: 1793.34
• IUPAC Name: 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1
• InChI: InChI=1S/3C9H13N.C8H13N.4C7H12N2.C7H11NS.3C6H11N3.C6H10N2O.C5H10N4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-9-8-5;1-5(2,3)9-4-6-7-8-9/h3*4-7H,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-6H,1-3H3;4*4-5H,1-3H3;2*4H,1-3H3
• InChIKey: ZENPMFRZOMBAOO-UHFFFAOYSA-N
• XLogP: 23.34
• TPSA: 313.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 29
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1794.66
LogP ≤ 5	23.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole?

The IUPAC name of 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole (CID 162098244) is 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole.

What is the SMILES notation for 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole?

The canonical SMILES for 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole is CC(C)(C)c1ccccn1.CC(C)(C)c1cccnc1.CC(C)(C)c1ccncc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1nccs1.CC(C)(C)c1ncon1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.

What is the InChIKey of 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole?

The InChIKey is ZENPMFRZOMBAOO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C9H13N.C8H13N.4C7H12N2.C7H11NS.3C6H11N3.C6H10N2O.C5H10N4/c1-9(2,3)8-4-6-10-7-5-8;1-9(2,3)8-5-4-6-10-7-8;1-9(2,3)8-6-4-5-7-10-8;1-8(2,3)9-6-4-5-7-9;1-7(2,3)6-4-8-5-9-6;1-7(2,3)9-5-4-8-6-9;2*1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-4-7-8-5-9;1-6(2,3)9-5-7-4-8-9;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-9-8-5;1-5(2,3)9-4-6-7-8-9/h3*4-7H,1-3H3;4-7H,1-3H3;4-5H,1-3H3,(H,8,9);3*4-6H,1-3H3;4*4-5H,1-3H3;2*4H,1-3H3.

What are the key properties of 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole?

1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole has a molecular weight of 1794.66 g/mol, XLogP of 23.34, 0 rotatable bonds, 1 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;5-tert-butyl-1H-imidazole;3-tert-butyl-1,2,4-oxadiazole;bis(1-tert-butylpyrazole);2-tert-butylpyridine;3-tert-butylpyridine;4-tert-butylpyridine;1-tert-butylpyrrole;1-tert-butyltetrazole;2-tert-butyl-1,3-thiazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;4-tert-butyl-1,2,4-triazole is sourced from PubChem (CID 162098244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).