89403-96-3

Basic information

• Product Name: 1,7-dihydro-7-methyl-4H-pyrazolo[3,4-d]-1,2,3-triazin-4-one 2-oxide
• Synonyms: 1,7-dihydro-7-methyl-4H-pyrazolo[3,4-d]-1,2,3-triazin-4-one 2-oxide;Einecs 289-499-6
• CAS NO: 89403-96-3
• Molecular Formula: C₅H₅N₅O₂
• Molecular Weight: 167.1255
• EINECS: 289-499-6
• Mol File: 89403-96-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 416.9°C at 760 mmHg
• Flash Point: 206°C
• Appearance: /
• Density: 1.95g/cm³
• Vapor Pressure: 3.68E-07mmHg at 25°C
• Refractive Index: 1.879
• CAS DataBase Reference: 1,7-dihydro-7-methyl-4H-pyrazolo[3,4-d]-1,2,3-triazin-4-one 2-oxide(CAS DataBase Reference)
• NIST Chemistry Reference: 1,7-dihydro-7-methyl-4H-pyrazolo[3,4-d]-1,2,3-triazin-4-one 2-oxide(89403-96-3)
• EPA Substance Registry System: 1,7-dihydro-7-methyl-4H-pyrazolo[3,4-d]-1,2,3-triazin-4-one 2-oxide(89403-96-3)

Safety Data

• Hazardous Substances Data: 89403-96-3(Hazardous Substances Data)

Usage

Explanation

The molecular formula represents the number of atoms of each element present in a molecule of the compound.
2. Heterocyclic compound

Explanation

A heterocyclic compound is a cyclic compound containing atoms of at least two different elements, in this case, carbon, nitrogen, and oxygen.
3. Pyrazolo-triazine ring system

Explanation

The compound features a fused ring system consisting of a pyrazolo (a five-membered ring with two nitrogen atoms) and a triazine (a six-membered ring with three nitrogen atoms).
4. Oxygen atom in the structure

Explanation

The compound contains an additional oxygen atom, which distinguishes it from its non-oxide counterpart.
5. Oxide derivative

Explanation

The presence of the extra oxygen atom classifies this compound as an oxide derivative, which may have different properties compared to the non-oxide version.
6. Potential applications in pharmaceutical research

Explanation

Heterocyclic compounds, like this one, are often used as building blocks for drug synthesis due to their diverse biological activities.
7. Diverse biological activities

Explanation

The compound's structure may lead to various interactions with biological targets, which could be explored for potential therapeutic applications.
8. Further research necessary

Explanation

To fully understand the properties and potential uses of this compound, additional research is required, including its synthesis, stability, and biological activity assessments.

InChI:InChI=1/C5H5N5O2/c1-9-4-3(2-6-9)5(11)8-10(12)7-4/h2H,1H3,(H,7,8,11)

Upstream product

• 5334-41-8 5-amino-4-cyano-1-methylpyrazole 

Relevant articles and documents

The Synthesis of Substituted 1,2,3-Benzotriazin-4(3H)-one N2-Oxides and Heteroannulated 1,2,3-Triazin-4(3H)-one N2-Oxides

Under certain nitration conditions, o-amino aromatic nitriles can be ring closed to the 1,2,3-benzotriazin-4(3H)-one N2-oxides via intermediate nitramines. o-Amino heteroaromatic nitriles give the corresponding heteroannulated 1,2,3-triazin-4(3H)-one N2-oxides.The scope of this new ring-closure reaction is discussed.