3,5-diethyl-1H-1,2,4-triazole

Base Information

• Chemical Name: 3,5-diethyl-1H-1,2,4-triazole
• CAS No.: 7343-35-3
• Molecular Formula: C6H11N3
• Molecular Weight: 125.17200
• Hs Code.: 2933990090
• European Community (EC) Number: 964-509-8
• ChEMBL ID: CHEMBL4582271
• DSSTox Substance ID: DTXSID80573585
• Nikkaji Number: J1.305.546G
• Wikidata: Q82462338
• Mol file: 7343-35-3.mol

Synonyms:3,5-diethyl-1H-1,2,4-triazole;7343-35-3;SCHEMBL2756565;3,5-diethyl-1,2,4-triazole;CHEMBL4582271;DTXSID80573585;AKOS008146678;CS-0261151;EN300-77357;G71889;Z802557220

Chemical Property of 3,5-diethyl-1H-1,2,4-triazole

Chemical Property:

• PSA: 41.57000
• LogP: 0.92950
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 125.095297364
• Heavy Atom Count: 9
• Complexity: 84.4

Purity/Quality:

98% ^*data from raw suppliers

3,5-diethyl-1H-1,2,4-triazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=NC(=NN1)CC

Technology Process of 3,5-diethyl-1H-1,2,4-triazole

There total 2 articles about 3,5-diethyl-1H-1,2,4-triazole 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:

[Cu(3,5-diethyl-1,2,4-triazolate)].infin. → 3,5-diethyl-1,2,4-triazole (7343-35-3)

Guidance literature:

With ammonium sulfide; In water;

DOI:10.1080/00397911.2013.772637

Reference yield:

dipropionamide (6050-26-6) + semicarbazide hydrochloride (563-41-7) → 3,5-diethyl-1,2,4-triazole (7343-35-3)

Guidance literature:

With ethanol; calcium propionate; at 25 ℃;

Reference yield: 82.0%

3,5-diethyl-1,2,4-triazole (7343-35-3) + silver(l) oxide (20667-12-3) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → [Ag5(3,5-diethyl-1,2,4-triazolate)5]*C6H6

Guidance literature:

With ammonia; In methanol; water; at 20 ℃; for 1h; Darkness;

DOI:10.1039/c5ce00004a

upstream raw materials:

dipropionamide

semicarbazide hydrochloride

Downstream raw materials:

tetradecanoic acid 3-{acetyl-[4-(3,5-diethyl-[1,2,4]triazol-1-yl)-5-oxo-1-(2,4,6-trichloro-phenyl)-4,5-dihydro-1H-pyrazol-3-yl]-amino}-4-chloro-anilide

Refernces