58661-97-5

Basic information

• Product Name: 4-Propyl-4H-1,2,4-triazol-3-amine
• Synonyms: 4-Propyl-4H-1,2,4-triazol-3-amine
• CAS NO: 58661-97-5
• Molecular Formula: C5H10 N4
• Molecular Weight: 126.1597
• Mol File: 58661-97-5.mol
• Article Data: 1

Chemical Properties

• Melting Point: 190-191 °C(Solv: ethanol (64-17-5); benzene (71-43-2))
• Boiling Point: 287.3°Cat760mmHg
• Flash Point: 127.6°C
• Appearance: /
• Density: 1.25g/cm³
• Vapor Pressure: 0.0025mmHg at 25°C
• Refractive Index: 1.61
• PKA: 4.67±0.10(Predicted)
• CAS DataBase Reference: 4-Propyl-4H-1,2,4-triazol-3-amine(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Propyl-4H-1,2,4-triazol-3-amine(58661-97-5)
• EPA Substance Registry System: 4-Propyl-4H-1,2,4-triazol-3-amine(58661-97-5)

Safety Data

• Hazardous Substances Data: 58661-97-5(Hazardous Substances Data)

Usage

InChI:InChI=1/C5H10N4/c1-2-3-9-4-7-8-5(9)6/h4H,2-3H2,1H3,(H2,6,8)

Upstream product

• 108-91-8 cyclohexylamine 
• 107-11-9 1-amino-2-propene 

Relevant articles and documents

Nucleophilic ring-opening of the azole and azine moieties in 6-nitro-1,2,4-triazolo[1,5-a]pyrimidin-7-ones

The effects of the nature of the nucleophile and the structure of 6-nitrotriazolo[1,5-a]pyrimidinones on the direction of the ring opening were investigated. The triazole ring is opened under the action of strong bases, such as alkoxides or alkalis, to form 2-cyanoaminopyrimidinones and then 2-aminopyrimidinones. The results of the reactions with N-nucleophiles depend on the accessibility of position 5 of the heterocycle. Thus, sterically hindered secondary amines react with 5-methyltriazolopyrimidinones to give 2-guanidinopyrimidinones and then 2-aminopyrimidinones. In the absence of a substituent at position 5, the azine ring is opened to form 4-alkyl-3-amino-1,2,4-triazoles and 3-amino-2-nitroacrylamides. Under the action of primary amines, only the pyrimidine fragment is cleaved.