4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one

Basic Information

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CAS Number

96240-10-7

Molecular Formula

C5H10N4O

Molecular Weight

142.16 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Melting Point

172 ºC

Density

1.46

Refractive Index

1.653

SMILES

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CC(C)C1=NNC(=O)N1N

InChI

InChI=1S/C5H10N4O/c1-3(2)4-7-8-5(10)9(4)6/h3H,6H2,1-2H3,(H,8,10)

InChIKey

JIXOMCFZRAAWKK-UHFFFAOYSA-N

LogP

-0.5914000000000004

Topological Polar Surface Area

76.69999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 5

Complexity

186

Synonyms & References

English

4-Amino-3-isopropyl-1H-1,2,4-triazol-5(4H)-one
3-Isopropyl-4-amino-1,2,4-triazol-5-one
4-amino-3-propan-2-yl-1H-1,2,4-triazol-5-one
4-amino-3-isopropyl-1,2,4-triazolin-5-one
4-amino-5-i-propyl-2,4-dihydro-3H-1,2,4-triazol-3-one
4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one (ACI)
4-Amino-2,4-dihydro-5-isopropyl-1,2,4-triazol-3-one
4-amino-3-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
DTXSID30446316
NS00002593
AC-13171
96240-10-7
4-amino-5-isopropyl-2,4-dihydro-3H-1,2,4-triazol-3-one
AS-67012
SCHEMBL3221455
CS-0235937
1-amino-4H-triazol-5-one
DB-009199
W18646
4-AMINO-5-ISOPROPYL-2H-1,2,4-TRIAZOL-3-ONE
AKOS006293450
MFCD04972517
EC 689-404-1
JIXOMCFZRAAWKK-UHFFFAOYSA-N
EN300-1655569
4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one
4-Amino-5-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one

MDL Number

MFCD04972517

Customs Code

2933990090

FAQ

What regulatory guidelines apply to 4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one (CAS: 96240-10-7)?

This compound falls under various regulatory guidelines including the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), the REACH regulation in the EU, and FDA/EPA requirements. Manufacturers and importers must ensure compliance with these guidelines for safety data sheets, hazard communication, and environmental protection measures.

Are there alternatives to 4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one (CAS: 96240-10-7) in synthesis?

There are alternative reagents and analogs that can be used in the synthesis of this compound, such as 1-phenyl-1H-tetrazole-5-carboxylic acid or 5-amino-1-(1-methylethyl)-1H-tetrazole. These alternatives can offer similar functional groups and properties but with varying synthesis complexities.

What is the market or research trend for 4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one (CAS: 96240-10-7)?

Recent market trends indicate growing research interest in this compound due to its potential in pharmaceuticals and agricultural applications. Research is focusing on its role as an antifungal agent and as a precursor for other organic compounds. The demand is expected to rise with further validation of its efficacy and safety.

How should waste containing 4-Amino-2,4-dihydro-5-(1-methylethyl)-3H-1,2,4-triazol-3-one (CAS: 96240-10-7) be handled?

Waste containing this compound should be collected in appropriate containers and disposed of according to local regulations. For safe handling, it is recommended to use professional waste disposal services. Environmental protection measures should include minimizing contamination and ensuring all waste is treated in an environmentally safe manner, such as incineration or chemical neutralization before disposal.