1H-1,2,3-Triazole

Base Information

• Chemical Name: 1H-1,2,3-Triazole
• CAS No.: 288-35-7
• Molecular Formula: C₂H₃N₃
• Molecular Weight: 69.0659
• European Community (EC) Number: 608-262-3,813-720-2
• UNII: EM7554254W
• DSSTox Substance ID: DTXSID30870495
• Nikkaji Number: J124.171K,J5.453D
• Wikipedia: 1,2,3-Triazole
• Wikidata: Q161297
• Metabolomics Workbench ID: 55142
• ChEMBL ID: CHEMBL2148102
• Mol file: 288-35-7.mol

Synonyms:Triazole;Triazoles

Chemical Property of 1H-1,2,3-Triazole

Chemical Property:

• Vapor Pressure: 0.404mmHg at 25°C
• Melting Point: 23.5 °C
• Boiling Point: 203°C at 760 mmHg
• PKA: 8.73±0.70(Predicted)
• Flash Point: 100.7°C
• PSA: 41.57000
• Density: 1.274g/cm³
• LogP: -0.19530
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 69.032697108
• Heavy Atom Count: 5
• Complexity: 24.1

Purity/Quality:

99%· ^*data from raw suppliers

2H-1,2,3-Triazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=NNN=C1

Technology Process of 1H-1,2,3-Triazole

There total 5 articles about 1H-1,2,3-Triazole 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: 85.0%

disodium ethylenediamine tetraacetic acid (64-02-8,139-33-3,150-38-9,7379-28-4,17421-79-3,71705-16-3,116229-67-5) + phenylacetylene (536-74-3) → 1 ,2,3-Triazole (288-36-8,288-35-7)

Guidance literature:

With CuI; DIPEA; In N,N-dimethyl-formamide;

Reference yield: 85.0%

N,N-diisopropylethylamine (DIPEA) + disodium ethylenediamine tetraacetic acid (64-02-8,139-33-3,150-38-9,7379-28-4,17421-79-3,71705-16-3,116229-67-5) + phenylacetylene (536-74-3) → 1 ,2,3-Triazole (288-36-8,288-35-7)

Guidance literature:

With CuI; In N,N-dimethyl-formamide;

Reference yield:

3-amino-1,2,4-triazine 2-oxide (61177-95-5) → 1 ,2,3-Triazole (288-36-8,288-35-7)

Guidance literature:

With sodium hydroxide; In water; for 2h; Heating;

upstream raw materials:

1,2,3-triazole

3-amino-1,2,4-triazine 2-oxide

disodium ethylenediamine tetraacetic acid

phenylacetylene

Downstream raw materials:

2-(2-nitro-phenyl)-2H-[1,2,3]triazole

1-(2-nitrophenyl)-1H-1,2,3-triazole

2-methoxypyridine

2-(1,2,3-triazol-2-yl)pyridine

Refernces

1,2,3-Triazole-nimesulide hybrid: Their design, synthesis and evaluation as potential anticancer agents

10.1016/j.bmcl.2016.12.030

This research explores the creation of a new hybrid template that integrates the structural features of nimesulide and the 1,2,3-triazole moiety, eliminating the problematic nitro group of nimesulide. The compounds were synthesized using a mild and greener CuAAC approach in water, resulting in a library of molecules with potential anticancer properties. The synthesized compounds were tested against various cancer cell lines, including A549 (lung cancer), HepG2 (liver cancer), HeLa (cervical cancer), and DU145 (prostate cancer), with three compounds (3f, 3g, and 3i) showing promising growth inhibition (IC50 ~ 6-10 μM) and selective activity towards cancer cells. These compounds also inhibited PDE4B in vitro (60-70% at 10 μM), supported by docking studies with PLP scores ranging from 87 to 94. The study concludes that the new hybrid template could be useful for identifying novel anticancer agents, and the described methodology offers an eco-friendly approach for synthesizing such compounds.

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