1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane

C83H172N26O — CID 159107648

About 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane

1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane (PubChem CID 159107648) has the molecular formula C83H172N26O and a molecular weight of 1550.47 g/mol. Its IUPAC name is 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane.

Molecular Properties

• Compound Name: 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
• PubChem CID: 159107648
• Molecular Formula: C83H172N26O
• Molecular Weight: 1550.47 g/mol
• Exact Mass: 1549.42
• IUPAC Name: 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cnco1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1
• InChI: InChI=1S/C8H13N.2C7H12N2.C7H11NO.4C6H11N3.2C5H10N4.10C2H6/c1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-8-5-9-6;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)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-5(2,3)4-6-8-9-7-4;10*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9);10*1-2H3
• InChIKey: KEBZYIFGMHPUTO-UHFFFAOYSA-N
• XLogP: 22.81
• TPSA: 287.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1550.47
LogP ≤ 5	22.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane?

The IUPAC name of 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane (CID 159107648) is 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane.

What is the SMILES notation for 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane?

The canonical SMILES for 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)c1cnco1.CC(C)(C)c1nn[nH]n1.CC(C)(C)n1cccc1.CC(C)(C)n1cccn1.CC(C)(C)n1ccnc1.CC(C)(C)n1ccnn1.CC(C)(C)n1cncn1.CC(C)(C)n1cnnc1.CC(C)(C)n1cnnn1.CC(C)(C)n1nccn1.

What is the InChIKey of 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane?

The InChIKey is KEBZYIFGMHPUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C7H12N2.C7H11NO.4C6H11N3.2C5H10N4.10C2H6/c1-8(2,3)9-6-4-5-7-9;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-4-8-5-9-6;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)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;1-5(2,3)4-6-8-9-7-4;10*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;1-3H3,(H,6,7,8,9);10*1-2H3.

What are the key properties of 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane?

1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane has a molecular weight of 1550.47 g/mol, XLogP of 22.81, 0 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltetrazole;5-tert-butyl-2H-tetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane is sourced from PubChem (CID 159107648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).