4H-1,2,4-Triazole-3,4,5-triamine

Base Information

• Chemical Name: 4H-1,2,4-Triazole-3,4,5-triamine
• CAS No.: 473-96-1
• Molecular Formula: C2H6 N6
• Molecular Weight: 114.11
• Hs Code.: 2933990090
• NSC Number: 79145
• UNII: 4O25P2N0XA
• DSSTox Substance ID: DTXSID90197094
• Nikkaji Number: J12.550D
• Wikidata: Q83070065
• ChEMBL ID: CHEMBL2010372
• Mol file: 473-96-1.mol

Synonyms:1,2,4-triaminotriazole;guanazine

Chemical Property of 4H-1,2,4-Triazole-3,4,5-triamine

Chemical Property:

• Vapor Pressure: 2.49E-10mmHg at 25°C
• Melting Point: 269-271°C
• Boiling Point: 505.2°Cat760mmHg
• PKA: 5.63±0.10(Predicted)
• Flash Point: 259.3°C
• PSA: 108.77000
• Density: 2.45g/cm³
• LogP: -0.10010
• XLogP3: -1.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 114.06539422
• Heavy Atom Count: 8
• Complexity: 72.6

Purity/Quality:

98%min ^*data from raw suppliers

4H-1,2,4-Triazole-3,4,5-triamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1(=NN=C(N1N)N)N

Technology Process of 4H-1,2,4-Triazole-3,4,5-triamine

There total 5 articles about 4H-1,2,4-Triazole-3,4,5-triamine 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: 60.0%

thiosemicarbazide (79-19-6) → 3,4,5-Triamino-4H-1,2,4-triazole (473-96-1,4355-59-3,82882-12-0)

Guidance literature:

With magnesium sulfate; sulfur; mercury(II) oxide; In acetone; for 0.5h; Heating;

Reference yield: 55.0%

S-methyl isothiosemicarbazide hydroiodide (35600-34-1) → 3,4,5-Triamino-4H-1,2,4-triazole (473-96-1,4355-59-3,82882-12-0)

Guidance literature:

With potassium hydrogencarbonate; In ethanol; for 3h; Heating;

Reference yield: 42.5%

NCNMe2 (1467-79-4) → 3,4,5-Triamino-4H-1,2,4-triazole (473-96-1,4355-59-3,82882-12-0)

Guidance literature:

With hydrazine; In 2-methoxy-ethanol; for 7h; Heating;

DOI:10.1016/j.tetlet.2006.08.106

upstream raw materials:

thiosemicarbazide

S-methyl isothiosemicarbazide hydroiodide

NCNMe₂

Refernces

• 1、 Fronabarger, John W.,Chapman, Robert D.,Gilardi, Richard D.. "Facile entry into the 3H,9H-bis[1,2,4]triazolo-[1,5-a:5′,1′-d][1,3,5]triazinium (5/6/5 tricyclic NNN) system". . p. 7707 - 7709. Retrieved 2007/10/03.