1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane

C72H147N25 — CID 157408130

About 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane

1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane (PubChem CID 157408130) has the molecular formula C72H147N25 and a molecular weight of 1363.14 g/mol. Its IUPAC name is 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane
• PubChem CID: 157408130
• Molecular Formula: C72H147N25
• Molecular Weight: 1363.14 g/mol
• Exact Mass: 1362.23
• IUPAC Name: 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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(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)n1nccn1.Cc1nnn(C(C)(C)C)n1.Cc1nnnn1C(C)(C)C
• InChI: InChI=1S/C8H13N.2C7H12N2.2C6H12N4.4C6H11N3.7C2H6/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;1-5-7-8-9-10(5)6(2,3)4;1-5-7-9-10(8-5)6(2,3)4;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;7*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;2*1-4H3;4*4-5H,1-3H3;7*1-2H3
• InChIKey: BNYPMOKOVJUJNL-UHFFFAOYSA-N
• XLogP: 18.31
• TPSA: 250.61 Ų
• H-Bond Acceptors: 25
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1363.14
LogP ≤ 5	18.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane (CID 157408130) is 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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(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)n1nccn1.Cc1nnn(C(C)(C)C)n1.Cc1nnnn1C(C)(C)C.

What is the InChIKey of 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane?

The InChIKey is BNYPMOKOVJUJNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.2C7H12N2.2C6H12N4.4C6H11N3.7C2H6/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;1-5-7-8-9-10(5)6(2,3)4;1-5-7-9-10(8-5)6(2,3)4;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;7*1-2/h4-7H,1-3H3;2*4-6H,1-3H3;2*1-4H3;4*4-5H,1-3H3;7*1-2H3.

What are the key properties of 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;1-tert-butyltriazole;1-tert-butyl-1,2,4-triazole;2-tert-butyltriazole;4-tert-butyl-1,2,4-triazole;ethane?

1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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 1363.14 g/mol, XLogP of 18.31, 0 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-tert-butylimidazole;1-tert-butyl-5-methyltetrazole;2-tert-butyl-5-methyltetrazole;1-tert-butylpyrazole;1-tert-butylpyrrole;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 157408130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).