1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole

C175H310N34O2S2 — CID 159110779

About 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole

1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole (PubChem CID 159110779) has the molecular formula C175H310N34O2S2 and a molecular weight of 2986.77 g/mol. Its IUPAC name is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole.

Molecular Properties

• Compound Name: 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
• PubChem CID: 159110779
• Molecular Formula: C175H310N34O2S2
• Molecular Weight: 2986.77 g/mol
• Exact Mass: 2984.46
• IUPAC Name: 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole
• SMILES: CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nnn(C(C)(C)C)n1
• InChI: InChI=1S/C13H21N.4C12H20N2.3C11H20N2.C11H19NO.C11H19NS.3C10H19N3.C10H18N2O.C10H18N2S.C9H18N4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;2*1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-11-7-13(12-8)10(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6/h7-9H,1-6H3;4*7-8H,1-6H3;3*7-8H,1-6H3;5*7H,1-6H3;3*1-6H3
• InChIKey: KELPYWADZMPBJG-UHFFFAOYSA-N
• XLogP: 46.29
• TPSA: 408.82 Ų
• H-Bond Acceptors: 38
• Heavy Atoms: 213
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2986.77
LogP ≤ 5	46.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

The IUPAC name of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole (CID 159110779) is 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole.

What is the SMILES notation for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

The canonical SMILES for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole is CC(C)(C)c1ccc(C(C)(C)C)nc1.CC(C)(C)c1ccc(C(C)(C)C)nn1.CC(C)(C)c1ccn(C(C)(C)C)n1.CC(C)(C)c1cn(C(C)(C)C)cn1.CC(C)(C)c1cn(C(C)(C)C)nn1.CC(C)(C)c1cnc(C(C)(C)C)cn1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)nc1.CC(C)(C)c1cnc(C(C)(C)C)o1.CC(C)(C)c1cnc(C(C)(C)C)s1.CC(C)(C)c1cnn(C(C)(C)C)c1.CC(C)(C)c1cnn(C(C)(C)C)n1.CC(C)(C)c1ncn(C(C)(C)C)n1.CC(C)(C)c1nnc(C(C)(C)C)o1.CC(C)(C)c1nnc(C(C)(C)C)s1.CC(C)(C)c1nnn(C(C)(C)C)n1.

What is the InChIKey of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

The InChIKey is KELPYWADZMPBJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N.4C12H20N2.3C11H20N2.C11H19NO.C11H19NS.3C10H19N3.C10H18N2O.C10H18N2S.C9H18N4/c1-12(2,3)10-7-8-11(14-9-10)13(4,5)6;1-11(2,3)9-7-14-10(8-13-9)12(4,5)6;2*1-11(2,3)9-7-13-10(14-8-9)12(4,5)6;1-11(2,3)9-7-8-10(14-13-9)12(4,5)6;1-10(2,3)9-7-13(8-12-9)11(4,5)6;1-10(2,3)9-7-12-13(8-9)11(4,5)6;1-10(2,3)9-7-8-13(12-9)11(4,5)6;2*1-10(2,3)8-7-12-9(13-8)11(4,5)6;1-9(2,3)8-11-7-13(12-8)10(4,5)6;1-9(2,3)8-7-13(12-11-8)10(4,5)6;1-9(2,3)8-7-11-13(12-8)10(4,5)6;2*1-9(2,3)7-11-12-8(13-7)10(4,5)6;1-8(2,3)7-10-12-13(11-7)9(4,5)6/h7-9H,1-6H3;4*7-8H,1-6H3;3*7-8H,1-6H3;5*7H,1-6H3;3*1-6H3.

What are the key properties of 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole?

1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole has a molecular weight of 2986.77 g/mol, XLogP of 46.29, 0 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1,4-ditert-butylimidazole;2,5-ditert-butyl-1,3,4-oxadiazole;2,5-ditert-butyl-1,3-oxazole;2,5-ditert-butylpyrazine;1,3-ditert-butylpyrazole;1,4-ditert-butylpyrazole;3,6-ditert-butylpyridazine;2,5-ditert-butylpyridine;bis(2,5-ditert-butylpyrimidine);2,5-ditert-butyltetrazole;2,5-ditert-butyl-1,3,4-thiadiazole;2,5-ditert-butyl-1,3-thiazole;1,3-ditert-butyl-1,2,4-triazole;1,4-ditert-butyltriazole;2,4-ditert-butyltriazole is sourced from PubChem (CID 159110779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).