1003-35-6

Basic information

• Product Name: 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one
• Synonyms: 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one;5-Amino-1,2-dihydro-3H-1,2,4-triazol-3-one;3-aMino-4,5-dihydro-1H-1,2,4-triazol-5-one;5-AMino-1H-1,2,4-triazol-3(2H)-one;5-Amino-1H-1,2,4-triazol-3(2H)
• CAS NO: 1003-35-6
• Molecular Formula: C₂H₄N₄O
• Molecular Weight: 100.07936
• Mol File: 1003-35-6.mol
• Article Data: 2

Chemical Properties

• Melting Point: 286-290 °C (decomp)
• Boiling Point: 548.1 °C at 760 mmHg
• Flash Point: 285.3 °C
• Appearance: /
• Density: 2.27 g/cm³
• Vapor Pressure: 1.26E-12mmHg at 25°C
• Refractive Index: 1.944
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 17.07±0.20(Predicted)
• CAS DataBase Reference: 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one(1003-35-6)
• EPA Substance Registry System: 5-Amino-2,4-dihydro-[1,2,4]triazol-3-one(1003-35-6)

Safety Data

• Hazardous Substances Data: 1003-35-6(Hazardous Substances Data)

Usage

General Description

5-Amino-2,4-dihydro-[1,2,4]triazol-3-one is a chemical compound with the molecular formula C2H4N4O. It is a heterocyclic compound and an important intermediate in the synthesis of pharmaceuticals and agricultural chemicals. The compound is known for its versatility in the development of various drugs, including antiviral and antibacterial agents. It is also used as a building block in organic synthesis and is an important compound in medicinal chemistry. This chemical has potential applications in the pharmaceutical industry due to its valuable properties and ability to be modified into different derivatives for various uses.

InChI:InChI=1/C2H4N4O/c3-1-4-2(7)6-5-1/h(H4,3,4,5,6,7)

Upstream product

• 1937-19-5 1-aminoguanidine hydrochloride 
• 57-13-6 urea 
• 932-64-9 3-nitro-1,2,4-triazol-5-one 
• 960607-22-1 C₄H₄N₈O₃ 

Downstream Products

• 1003-34-5 3-chloro-1,2,4-triazol-5(1H,4H)-one 
• 930-33-6 2,4-dihydro-1,2,4-triazol-3-one 
• 1232570-80-7 3-hydroxy-6-phenyl-7-(2-hydroxy-3-bromo-4-isopropoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-06-9 3-hydroxy-6-phenyl-7-(2-hydroxy-4-methoxy-6-methylphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-10-5 3-hydroxy-6-phenyl-7-(2-hydroxy-4-isopropoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-16-1 3-hydroxy-6-(4-methoxyphenyl)-7-(2-hydroxy-4-benzyloxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-02-5 3-hydroxy-6-(4-methoxyphenyl)-7-(2-hydroxy-4,6-dimethoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-04-7 3-hydroxy-6-(4-methoxyphenyl)-7-(2-hydroxy-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-14-9 C₁₈H₁₄N₄O₄ 
• 1232562-08-1 3-hydroxy-6-phenyl-7-(2-hydroxy-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 
• 1232562-12-7 3-hydroxy-6-(3,5-diisopropyl-4-methoxyphenyl)-7-(2-hydroxy-4-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyrimidine 

Relevant articles and documents

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Synthesis of [3-14C]- and [5-14C]-labelled 5-nitro-1,2,4-triazol-3-one (NTO) and study of its chemical decomposition

The chemical decomposition of NTO 1 and its corresponding amine ATO 2 was investigated. To make easier the identification of the decomposition products, we synthesized 14C-labelled NTO and ATO. Our results confirmed the high stability of the NTO triazolone ring. Its scission can be achieved partially by sulfuric acid under intensive heat and pressure. The triazolone ring of ATO was cleaved in alkaline solution. Carbon dioxide is evolved leaving a polar compound assumed to be aminoguanidine. The deamination of ATO was achieved by nitrosation. In dilute HCl (0.15 N), 2 equivalents of NO2- led to the triazolone 4, through a radical de-diazotation of the diazo intermediate. With 3 to 10 equivalents of NO2-, the nitrosation leads exclusively to the azide 6.