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

C74H144N26O — CID 162245680

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

1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane (PubChem CID 162245680) has the molecular formula C74H144N26O and a molecular weight of 1414.15 g/mol. Its IUPAC name is 1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
• PubChem CID: 162245680
• Molecular Formula: C74H144N26O
• Molecular Weight: 1414.15 g/mol
• Exact Mass: 1413.20
• IUPAC Name: 1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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(C)(C)c1cn[nH]c1.CC(C)(C)c1ncco1.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.Cc1nc(C(C)(C)C)n[nH]1
• InChI: InChI=1S/C7H13N3.3C7H12N2.C7H11NO.4C6H11N3.C5H10N4.5C2H6/c1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;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)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;5*1-2/h1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;5*1-2H3
• InChIKey: ZXHLGRZYGRNMFW-UHFFFAOYSA-N
• XLogP: 18.06
• TPSA: 298.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 25
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1414.15
LogP ≤ 5	18.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane (CID 162245680) is 1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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(C)(C)c1cn[nH]c1.CC(C)(C)c1ncco1.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.Cc1nc(C(C)(C)C)n[nH]1.

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

The InChIKey is ZXHLGRZYGRNMFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3.3C7H12N2.C7H11NO.4C6H11N3.C5H10N4.5C2H6/c1-5-8-6(10-9-5)7(2,3)4;1-7(2,3)6-4-8-9-5-6;1-7(2,3)9-5-4-8-6-9;1-7(2,3)9-6-4-5-8-9;1-7(2,3)6-8-4-5-9-6;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)9-7-4-5-8-9;1-5(2,3)9-4-6-7-8-9;5*1-2/h1-4H3,(H,8,9,10);4-5H,1-3H3,(H,8,9);2*4-6H,1-3H3;5*4-5H,1-3H3;4H,1-3H3;5*1-2H3.

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

1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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 1414.15 g/mol, XLogP of 18.06, 0 rotatable bonds, 2 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;3-tert-butyl-5-methyl-1H-1,2,4-triazole;2-tert-butyl-1,3-oxazole;1-tert-butylpyrazole;4-tert-butyl-1H-pyrazole;1-tert-butyltetrazole;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 162245680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).