1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole

C₅₉H₁₀₈N₁₈ — CID 158536238

About 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole

1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole (PubChem CID 158536238) has the molecular formula C₅₉H₁₀₈N₁₈ and a molecular weight of 1069.64 g/mol. Its IUPAC name is 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole.

Molecular Properties

• Compound Name: 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
• PubChem CID: 158536238
• Molecular Formula: C₅₉H₁₀₈N₁₈
• Molecular Weight: 1069.64 g/mol
• Exact Mass: 1068.90
• IUPAC Name: 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole
• SMILES: CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1
• InChI: InChI=1S/C10H17N.2C9H16N2.3C8H15N3.C7H14N4/c1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-8-10-11(9-7)6(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3
• InChIKey: HNZAMKKQXQCYPP-UHFFFAOYSA-N
• XLogP: 15.69
• TPSA: 176.30 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 14
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1069.64
LogP ≤ 5	15.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?

The IUPAC name of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole (CID 158536238) is 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole.

What is the SMILES notation for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?

The canonical SMILES for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole is CC(C)c1ccn(C(C)C)c1.CC(C)c1cn(C(C)C)cn1.CC(C)c1cn(C(C)C)nn1.CC(C)c1cnn(C(C)C)c1.CC(C)c1cnn(C(C)C)n1.CC(C)c1ncn(C(C)C)n1.CC(C)c1nnn(C(C)C)n1.

What is the InChIKey of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?

The InChIKey is HNZAMKKQXQCYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N.2C9H16N2.3C8H15N3.C7H14N4/c1-8(2)10-5-6-11(7-10)9(3)4;1-7(2)9-5-11(6-10-9)8(3)4;1-7(2)9-5-10-11(6-9)8(3)4;1-6(2)8-9-5-11(10-8)7(3)4;1-6(2)8-5-11(7(3)4)10-9-8;1-6(2)8-5-9-11(10-8)7(3)4;1-5(2)7-8-10-11(9-7)6(3)4/h5-9H,1-4H3;2*5-8H,1-4H3;3*5-7H,1-4H3;5-6H,1-4H3.

What are the key properties of 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole?

1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole has a molecular weight of 1069.64 g/mol, XLogP of 15.69, 14 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-di(propan-2-yl)imidazole;1,4-di(propan-2-yl)pyrazole;1,3-di(propan-2-yl)pyrrole;2,5-di(propan-2-yl)tetrazole;1,3-di(propan-2-yl)-1,2,4-triazole;1,4-di(propan-2-yl)triazole;2,4-di(propan-2-yl)triazole is sourced from PubChem (CID 158536238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158536238 — identifiers, structure, computed properties (public domain)

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