5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine

Base Information

• Chemical Name: 5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine
• CAS No.: 129594-95-2
• Molecular Formula: C₆H₁₁N₅O
• Molecular Weight: 169.186
• ChEMBL ID: CHEMBL328458
• DSSTox Substance ID: DTXSID10563510
• Nikkaji Number: J350.686J
• Mol file: 129594-95-2.mol

Synonyms:129594-95-2;5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine;5-PIPERAZIN-2-YL-1,2,4-OXADIAZOL-3-AMINE;1,2,4-Oxadiazol-3-amine,5-(2-piperazinyl)-(9CI);CHEMBL328458;DTXSID10563510

Chemical Property of 5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine

Chemical Property:

• PSA: 89.73000
• LogP: -0.52660
• XLogP3: -1.4
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 169.09635999
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(CN1)C2=NC(=NO2)N

Technology Process of 5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine

There total 1 articles about 5-(Piperazin-2-yl)-1,2,4-oxadiazol-3-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

ethyl 2-piperazinecarboxylate (89941-07-1) + hydroxyguanidine hemisulfate hemihydrate (6345-29-5) → 5-Piperazin-2-yl-[1,2,4]oxadiazol-3-ylamine (129594-95-2)

Guidance literature:

With 4 A molecular sieve; sodium; Yield given. Multistep reaction; 1.) ethanol, RT, 0.5 h, 2.) reflux, 3.5 h;

DOI:10.1021/jm00172a003

Reference yield: 10.0%

5-Piperazin-2-yl-[1,2,4]oxadiazol-3-ylamine (129594-95-2) + methyl iodide (74-88-4) → 5-(4-Methyl-piperazin-2-yl)-[1,2,4]oxadiazol-3-ylamine (129594-98-5) + 5-(1,4-Dimethyl-piperazin-2-yl)-[1,2,4]oxadiazol-3-ylamine (129594-99-6)

Guidance literature:

In diethyl ether;

DOI:10.1021/jm00172a003

upstream raw materials:

ethyl 2-piperazinecarboxylate

hydroxyguanidine hemisulfate hemihydrate

Downstream raw materials:

5-(4-Methyl-piperazin-2-yl)-[1,2,4]oxadiazol-3-ylamine

5-(1,4-Dimethyl-piperazin-2-yl)-[1,2,4]oxadiazol-3-ylamine