5-(4-phenylpiperazino)-1H-1,2,4-triazol-3-ylamine

Base Information

• Chemical Name: 5-(4-phenylpiperazino)-1H-1,2,4-triazol-3-ylamine
• CAS No.: 118630-19-6
• Molecular Formula: C₁₂H₁₆N₆
• Molecular Weight: 244.299
• DSSTox Substance ID: DTXSID001224378
• ChEMBL ID: CHEMBL156609
• Mol file: 118630-19-6.mol

Synonyms:118630-19-6;5-(4-phenylpiperazino)-1H-1,2,4-triazol-3-ylamine;5-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-3-amine;3-(4-phenylpiperazin-1-yl)-1H-1,2,4-triazol-5-amine;Oprea1_798518;MLS000694824;CHEMBL156609;DTXSID001224378;HMS2635K10;HMS3364C15;MFCD00138991;AKOS015156910;AKOS015991633;AKOS026696393;SMR000333128;10C-054;5-(4-Phenyl-1-piperazinyl)-1H-1,2,4-triazol-3-amine;F6548-0339

Chemical Property of 5-(4-phenylpiperazino)-1H-1,2,4-triazol-3-ylamine

Chemical Property:

• XLogP3: 1.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 244.14364454
• Heavy Atom Count: 18
• Complexity: 259

Purity/Quality:

5-(4-Phenylpiperazino)-1H-1,2,4-triazol-3-ylamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CN(CCN1C2=CC=CC=C2)C3=NNC(=N3)N

Technology Process of 5-(4-phenylpiperazino)-1H-1,2,4-triazol-3-ylamine

There total 2 articles about 5-(4-phenylpiperazino)-1H-1,2,4-triazol-3-ylamine 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:

N-Cyan-4-phenyl-1-piperazinthiocarbimidsaeure-methylester (86123-51-5) → 5-(4-Phenyl-piperazin-1-yl)-4H-[1,2,4]triazol-3-ylamine (118630-19-6)

Guidance literature:

With hydrazine hydrate; In acetonitrile; Yield given; Heating;

DOI:10.1021/jm00123a013

Reference yield:

4-phenyl-1-piperazine (92-54-6) → 5-(4-Phenyl-piperazin-1-yl)-4H-[1,2,4]triazol-3-ylamine (118630-19-6)

Guidance literature:

Multi-step reaction with 2 steps

1: acetonitrile / Heating

2: N₂H₄*H₂O / acetonitrile / Heating

With hydrazine hydrate; In acetonitrile;

DOI:10.1021/jm00123a013

upstream raw materials:

N-Cyan-4-phenyl-1-piperazinthiocarbimidsaeure-methylester

4-phenyl-1-piperazine

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