1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine

Base Information

• Chemical Name: 1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine
• CAS No.: 400063-96-9
• Molecular Formula: C3H5N7
• Molecular Weight: 139.12
• DSSTox Substance ID: DTXSID50398343
• Wikidata: Q82200246
• Mol file: 400063-96-9.mol

Synonyms:1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine;400063-96-9;5H-[1,2,4]triazolo[4,3-b][1,2,4]triazole-3,6-diamine;Oprea1_435642;DTXSID50398343;CFTLQXSUNIFDIQ-UHFFFAOYSA-N;CHEBI:189171;STK596993;AKOS005518266;1H-1,2,4-triazolo[4,3-b][1,2,4]triazole-3,6-diamine;ZZR

Chemical Property of 1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine

Chemical Property:

• PSA: 112.37000
• LogP: -1.52300
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 139.06064319
• Heavy Atom Count: 10
• Complexity: 137

Purity/Quality:

99% ^*data from raw suppliers

1H-1,2,4-TRIAZOLO[4,3-B][1,2,4]TRIAZOLE-3,6-DIAMINE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(=NC2=NN=C(N2N1)N)N

Technology Process of 1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine

There total 2 articles about 1H-[1,2,4]Triazolo[4,3-b][1,2,4]triazole-3,6-diamine 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: 84.0%

bromocyane (506-68-3) + 3-amino-5-hydrazino-1,2,4-triazole dihydrochloride (61033-37-2) → 3,6-diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (400063-96-9)

Guidance literature:

In methanol; water; for 48h; Reflux;

DOI:10.1016/j.poly.2021.115158

Reference yield: 78.0%

bromocyane (506-68-3) + 3-hydrazinium-5-amino-1H-1,2,4-triazolium dichloride → 3,6-diamino-1H-[1,2,4]triazolo[4,3-b][1,2,4]triazole (400063-96-9)

Guidance literature:

bromocyane; 3-hydrazinium-5-amino-1H-1,2,4-triazolium dichloride; With hydrogenchloride; In water; at 60 ℃; for 4h; Reflux;

With sodium hydrogencarbonate; In water; at 25 ℃; for 0.25h;

DOI:10.1039/d0nj05152g

upstream raw materials:

bromocyane

3-amino-5-hydrazino-1,2,4-triazole dihydrochloride