1,2,4-Triazine

Base Information

• Chemical Name: 1,2,4-Triazine
• CAS No.: 290-38-0
• Molecular Formula: C3H3 N3
• Molecular Weight: 81.0769
• DSSTox Substance ID: DTXSID50183190
• Nikkaji Number: J132.788G
• Wikidata: Q27117363
• Metabolomics Workbench ID: 55766
• Mol file: 290-38-0.mol

Synonyms:1,2,4-triazine

Chemical Property of 1,2,4-Triazine

Chemical Property:

• Vapor Pressure: 0.54mmHg at 25°C
• Refractive Index: 1.5060 (estimate)
• Boiling Point: 197.2°Cat760mmHg
• PKA: 0.98±0.63(Predicted)
• Flash Point: 92°C
• PSA: 38.67000
• Density: 1.173g/cm³
• LogP: -0.12840
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly, Heated, Sonicated), DMSO (Slightly, Heated, Sonicated), Py
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 81.032697108
• Heavy Atom Count: 6
• Complexity: 37

Purity/Quality:

97% ^*data from raw suppliers

[1,2,4]Triazine 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CN=NC=N1
• Uses: 1,2,4-Triazine (>90%) is used in improvements of pesticide formulations with lactamides. 1,2,4-triazines scaffold-valuable lead molecules possess diverse pharmacological activities, easy synthetic routes for synthesis and attracted researchers for development of new chemotherapeutic agents in human and mouse model.

Technology Process of 1,2,4-Triazine

There total 3 articles about 1,2,4-Triazine 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%

3-amino-1,2,4-triazine (1120-99-6) → 1,2,4-triazine (290-38-0)

Guidance literature:

With tetrahydrofuran; oxygen; nitrogen(II) oxide; for 4h; Ambient temperature;

DOI:10.1248/cpb.45.1547

Reference yield: 12.0%

1,2,4-triazine-3-carboxylic acid (6498-04-0) → 1,2,4-triazine (290-38-0)

Guidance literature:

at 120 - 125 ℃; for 1.25h;

DOI:10.1016/j.bmc.2007.08.065

Reference yield:

→ 1,2,4-triazine (290-38-0)

Guidance literature:

DOI:10.1021/jo01344a013

upstream raw materials:

3-amino-1,2,4-triazine

1,2,4-triazine-3-carboxylic acid

Downstream raw materials:

5,6,7,8-tetrahydroisoquinoline

3,4-cycloheptenopyridine

2-Imino-s-triazino<2,1-b>benzoxazol

4-cyclohexylpyridine

Refernces

Pyridazine derivatives and related compounds part 10. Reactions of 3-diazopyrazolo[3,4-c]pyridazine with reactive methylene compounds and other groups

10.3987/COM-03-9960

The study investigates the synthesis and transformations of 3-diazopyrazolo[3,4-c]pyridazine, a heterocyclic diazo compound. It reacts with various reactive methylene compounds, such as ethyl cyanoacetate, diethyl malonate, and cyclohexane-1,3-dione, to form corresponding hydrazones and condensed 1,2,4-triazines. The diazo compound also undergoes azo coupling with aromatic amines and naphthols to produce arylazo derivatives. Additionally, it participates in cycloaddition reactions with dipolarophiles like phenyl isothiocyanate and dimethyl acetylenedicarboxylate, yielding cycloaddition products. The study explores the synthetic potential of fused pyridazine systems and highlights the diverse reactivity of the diazo compound, with products characterized by spectroscopic methods.

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