bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole

C84H151N17O4 — CID 161275456

About bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole

bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole (PubChem CID 161275456) has the molecular formula C84H151N17O4 and a molecular weight of 1463.25 g/mol. Its IUPAC name is bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole.

Molecular Properties

• Compound Name: bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole
• PubChem CID: 161275456
• Molecular Formula: C84H151N17O4
• Molecular Weight: 1463.25 g/mol
• Exact Mass: 1462.21
• IUPAC Name: bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole
• SMILES: CC(C)(C)C1=C(C(C)(C)C)C(=O)N=N1.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1nncn1C(C)(C)C.CC(C)(C)c1nnnn1C(C)(C)C.CC(C)(C)c1nnoc1C(C)(C)C
• InChI: InChI=1S/C11H18N2O.2C11H20N2.2C11H19NO.C10H19N3.C10H18N2O.C9H18N4/c1-10(2,3)7-8(11(4,5)6)12-13-9(7)14;2*1-10(2,3)9-7-12-8-13(9)11(4,5)6;1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-9(2,3)8-12-11-7-13(8)10(4,5)6;1-9(2,3)7-8(10(4,5)6)13-12-11-7;1-8(2,3)7-10-11-12-13(7)9(4,5)6/h1-6H3;2*7-8H,1-6H3;3*7H,1-6H3;2*1-6H3
• InChIKey: VEJPEUVEOIXWLV-UHFFFAOYSA-N
• XLogP: 22.46
• TPSA: 242.72 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 105
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1463.25
LogP ≤ 5	22.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole?

The IUPAC name of bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole (CID 161275456) is bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole.

What is the SMILES notation for bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole?

The canonical SMILES for bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole is CC(C)(C)C1=C(C(C)(C)C)C(=O)N=N1.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1cncn1C(C)(C)C.CC(C)(C)c1cnoc1C(C)(C)C.CC(C)(C)c1conc1C(C)(C)C.CC(C)(C)c1nncn1C(C)(C)C.CC(C)(C)c1nnnn1C(C)(C)C.CC(C)(C)c1nnoc1C(C)(C)C.

What is the InChIKey of bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole?

The InChIKey is VEJPEUVEOIXWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.2C11H20N2.2C11H19NO.C10H19N3.C10H18N2O.C9H18N4/c1-10(2,3)7-8(11(4,5)6)12-13-9(7)14;2*1-10(2,3)9-7-12-8-13(9)11(4,5)6;1-10(2,3)8-7-13-12-9(8)11(4,5)6;1-10(2,3)8-7-12-13-9(8)11(4,5)6;1-9(2,3)8-12-11-7-13(8)10(4,5)6;1-9(2,3)7-8(10(4,5)6)13-12-11-7;1-8(2,3)7-10-11-12-13(7)9(4,5)6/h1-6H3;2*7-8H,1-6H3;3*7H,1-6H3;2*1-6H3.

What are the key properties of bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole?

bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole has a molecular weight of 1463.25 g/mol, XLogP of 22.46, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,5-ditert-butylimidazole);4,5-ditert-butyloxadiazole;3,4-ditert-butyl-1,2-oxazole;4,5-ditert-butyl-1,2-oxazole;4,5-ditert-butylpyrazol-3-one;1,5-ditert-butyltetrazole;3,4-ditert-butyl-1,2,4-triazole is sourced from PubChem (CID 161275456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).