5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine

Base Information

• Chemical Name: 5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine
• CAS No.: 22819-11-0
• Molecular Formula: C₅H₈N₈
• Molecular Weight: 180.172
• DSSTox Substance ID: DTXSID001260794
• Nikkaji Number: J821.479D
• ChEMBL ID: CHEMBL446786
• Mol file: 22819-11-0.mol

Synonyms:22819-11-0;5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine;5-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-1H-1,2,4-triazol-3-amine;bis(5-amino-1,2,4-triazol-3-yl)methane;Cambridge id 5141074;CHEMBL446786;SCHEMBL2491086;DTXSID001260794;HMS1612B11;STL169564;AKOS001033550;AKOS005367213;AKOS026746085;S-Triazole, 3,3'-methylenebis[5-amino-;S-Triazole, 3,3/'-methylenebis[5-amino-;3,3'-methylenebis(1H-1,2,4-triazol-5-amine);1H-1,2,4-Triazol-3-amine, 5,5'-methylenebis-;3,3'-Methylenebis(5-amino-1H-1,2,4-triazole);5,5'-Methylenebis[1H-1,2,4-triazol-3-amine];SR-01000480494;SR-01000480494-1;Z56761501;5-[(5-Amino-4H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine #;5-[(5-amino-4H-1,2,4-triazol-3-yl)methyl]-4H-1,2,4-triazol-3-amine

Chemical Property of 5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine

Chemical Property:

• XLogP3: -0.7
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 180.08719229
• Heavy Atom Count: 13
• Complexity: 156

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C(C1=NC(=NN1)N)C2=NC(=NN2)N

Technology Process of 5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-3-amine

There total 2 articles about 5-[(5-amino-1H-1,2,4-triazol-3-yl)methyl]-1H-1,2,4-triazol-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: 80.0%

malonic acid (141-82-2) + aminoguanidinium monohydrochloride → bis(5-amino-1,2,4-triazol-3-yl)methane (22819-11-0)

Guidance literature:

malonic acid; aminoguanidinium monohydrochloride; With hydrogenchloride; In water; at 70 ℃; for 3h;

With sodium hydroxide; In water; at 90 - 95 ℃; for 0.666667h;

DOI:10.1134/S1070427209020219

Reference yield:

malonic acid (141-82-2) + 1-aminoguanidine hydrochloride (1937-19-5,16139-18-7) → bis(5-amino-1,2,4-triazol-3-yl)methane (22819-11-0)

Guidance literature:

With water; und Erwaermen des Reaktionsprodukts mit wss. K₂CO₃;

upstream raw materials:

malonic acid

1-aminoguanidine hydrochloride