1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole

C132H216N24O6 — CID 158650440

About 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole

1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole (PubChem CID 158650440) has the molecular formula C132H216N24O6 and a molecular weight of 2235.34 g/mol. Its IUPAC name is 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole.

Molecular Properties

• Compound Name: 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole
• PubChem CID: 158650440
• Molecular Formula: C132H216N24O6
• Molecular Weight: 2235.34 g/mol
• Exact Mass: 2233.73
• IUPAC Name: 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole
• SMILES: CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1
• InChI: InChI=1S/C9H14.3C8H13N.3C8H12O.7C7H12N2.2C7H11NO.C6H11N3.C6H10N2O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;4*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)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-8-9-5/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;4-5H,6H2,1-3H3;3*4-6H,1-3H3;2*5H,4H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3
• InChIKey: IBMGJVLFEITDSO-UHFFFAOYSA-N
• XLogP: 34.70
• TPSA: 379.64 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2235.34
LogP ≤ 5	34.70
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole?

The IUPAC name of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole (CID 158650440) is 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole.

What is the SMILES notation for 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole?

The canonical SMILES for 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole is CC(C)(C)C1=CC=CC1.CC(C)(C)C1=CC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NC=NC1.CC(C)(C)C1=NCC=C1.CC(C)(C)C1=NCC=N1.CC(C)(C)c1cc[nH]c1.CC(C)(C)c1ccco1.CC(C)(C)c1ccco1.CC(C)(C)c1ccoc1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cnc[nH]1.CC(C)(C)c1cocn1.CC(C)(C)c1ncc[nH]1.CC(C)(C)c1ncco1.CC(C)(C)c1ncno1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.

What is the InChIKey of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole?

The InChIKey is IBMGJVLFEITDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14.3C8H13N.3C8H12O.7C7H12N2.2C7H11NO.C6H11N3.C6H10N2O/c1-9(2,3)8-6-4-5-7-8;2*1-8(2,3)7-4-5-9-6-7;1-8(2,3)7-5-4-6-9-7;1-8(2,3)7-4-5-9-6-7;2*1-8(2,3)7-5-4-6-9-7;4*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)6-8-4-5-9-6;1-7(2,3)6-4-9-5-8-6;1-7(2,3)6-8-4-5-9-6;1-6(2,3)9-5-4-7-8-9;1-6(2,3)5-7-4-8-9-5/h4-6H,7H2,1-3H3;4-5H,6H2,1-3H3;4-6,9H,1-3H3;4-5H,6H2,1-3H3;3*4-6H,1-3H3;2*5H,4H2,1-3H3;2*4-5H,1-3H3,(H,8,9);4-6H,1-3H3;4H,5H2,1-3H3;4-5H,1-3H3,(H,8,9);3*4-5H,1-3H3;4H,1-3H3.

What are the key properties of 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole?

1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole has a molecular weight of 2235.34 g/mol, XLogP of 34.70, 0 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylimidazole;2-tert-butyl-1H-imidazole;2-tert-butyl-4H-imidazole;bis(5-tert-butyl-1H-imidazole);bis(5-tert-butyl-4H-imidazole);5-tert-butyl-1,2,4-oxadiazole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;3-tert-butyl-1H-pyrrole;3-tert-butyl-2H-pyrrole;5-tert-butyl-2H-pyrrole;1-tert-butyltriazole is sourced from PubChem (CID 158650440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).