Cas no 70187-82-5 (6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one)
6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one Chemical and Physical Properties
Names and Identifiers
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- 6,8-dimethyl-Imidazo[1,5-a]-1,3,5-triazin-4(3H)-one
- 6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one
- 70187-82-5
- 6,8-dimethylimidazo[1,5-a]-1,3,5-triazin-4(3h)-one
- 6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one
- EN300-256098
- SCHEMBL17164007
- 6,8-dimethyl-3H-imidazo[1,5-a][1,3,5]triazin-4-one
- 6,8-dimethyl-1H-imidazo[1,5-a][1,3,5]triazin-4-one
-
- MDL: MFCD21362624
- Inchi: 1S/C7H8N4O/c1-4-6-8-3-9-7(12)11(6)5(2)10-4/h3H,1-2H3,(H,8,9,12)
- InChI Key: UKFDXAGJIYSJRX-UHFFFAOYSA-N
- SMILES: O=C1NC=NC2=C(C)N=C(C)N21
Computed Properties
- Exact Mass: 164.06981089g/mol
- Monoisotopic Mass: 164.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 240
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 59.3?2
6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM416074-250mg |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95%+ | 250mg |
$3128 | 2024-07-24 | |
| Chemenu | CM416074-1g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95%+ | 1g |
$3396 | 2024-07-24 | |
| Enamine | EN300-256098-0.05g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 0.05g |
$834.0 | 2024-06-19 | |
| Enamine | EN300-256098-0.1g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 0.1g |
$1089.0 | 2024-06-19 | |
| Enamine | EN300-256098-0.25g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 0.25g |
$1554.0 | 2024-06-19 | |
| Enamine | EN300-256098-0.5g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 0.5g |
$2450.0 | 2024-06-19 | |
| Enamine | EN300-256098-1.0g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 1.0g |
$3139.0 | 2024-06-19 | |
| Enamine | EN300-256098-2.5g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 2.5g |
$6155.0 | 2024-06-19 | |
| Enamine | EN300-256098-5.0g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 5.0g |
$9107.0 | 2024-06-19 | |
| Enamine | EN300-256098-10.0g |
6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one |
70187-82-5 | 95% | 10.0g |
$13504.0 | 2024-06-19 |
6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one Suppliers
6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one Related Literature
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Michael Kappl,Paul M. Young,Daniela Traini,Sanyog Jain RSC Adv., 2016,6, 25789-25798
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
Additional information on 6,8-dimethyl-3H,4H-imidazo1,5-a1,3,5triazin-4-one
Exploring the Properties and Applications of 6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one (CAS No. 70187-82-5)
The compound 6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one (CAS No. 70187-82-5) is a heterocyclic organic molecule with a unique structural framework. Its imidazo-triazine core, combined with methyl substituents at the 6 and 8 positions, makes it a subject of interest in medicinal chemistry and material science. Researchers are increasingly exploring its potential as a building block for pharmaceutical intermediates and functional materials, particularly in the context of drug discovery and bioactive molecule design.
One of the most searched questions about this compound revolves around its synthetic pathways and reactivity. Recent studies highlight its utility in multi-component reactions, where it acts as a versatile scaffold for constructing complex molecular architectures. The presence of both nitrogen-rich rings and carbonyl functionality allows for diverse chemical modifications, making it valuable for structure-activity relationship (SAR) studies. This aligns with current trends in fragment-based drug design, a hot topic in computational chemistry forums.
From an industrial perspective, 70187-82-5 has gained attention due to its potential role in green chemistry applications. Its moderate solubility in polar solvents and thermal stability make it suitable for catalytic processes and sustainable synthesis. Environmental scientists are investigating its biodegradation profile, responding to growing public interest in eco-friendly chemicals and circular economy principles. These aspects are frequently queried in patent databases and academic search engines.
The compound's spectroscopic characteristics, particularly its UV-Vis absorption and NMR patterns, are extensively documented. Analytical chemists emphasize its distinct chromophoric properties, which enable precise detection in high-performance liquid chromatography (HPLC) methods. This feature addresses common laboratory challenges in impurity profiling and quality control – key concerns in pharmaceutical manufacturing discussions across professional networks.
Emerging research suggests novel applications in agrochemical formulations, where the imidazo-triazine moiety demonstrates interesting biological activity. While not classified as hazardous, its interactions with enzyme systems are being mapped using molecular docking simulations, a technique widely searched in bioinformatics communities. Such studies contribute to the broader understanding of structure-based drug design principles.
In material science, the crystalline form of 6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one exhibits interesting solid-state properties. X-ray diffraction analyses reveal its potential for co-crystal engineering, a trending subject in advanced materials research. These findings answer frequent queries about polymorphism control in specialty chemicals, particularly from formulation scientists seeking to optimize physical stability.
The commercial availability of CAS 70187-82-5 through fine chemical suppliers has expanded its accessibility for research institutions. Quality specifications typically focus on HPLC purity thresholds (>98%) and residual solvent limits, reflecting industry standards for research-grade compounds. These parameters are critical for reproducibility in medicinal chemistry experiments, a concern frequently raised in scientific literature reviews.
Future directions for this compound include exploration in photoactive materials and electronic applications, given its conjugated system. The intersection of organic electronics and heterocyclic chemistry represents a growing niche in both academic and industrial research, as evidenced by search trends in materials science databases. Such applications could position 6,8-dimethyl-3H,4H-imidazo[1,5-a][1,3,5]triazin-4-one as a candidate for next-generation organic semiconductors.
From a regulatory standpoint, proper handling of this compound follows standard laboratory safety protocols, though it doesn't fall under restricted categories. Safety data sheets emphasize standard personal protective equipment (PPE) requirements, addressing common workplace safety queries. The compound's stability under various conditions is well-documented, providing practical guidance for storage and handling in research settings.
The scientific community continues to investigate the full potential of this structurally intriguing molecule. With ongoing studies in molecular recognition and supramolecular chemistry, 70187-82-5 may find applications beyond its current uses. Its development reflects broader trends in rational molecular design, combining computational prediction with experimental validation – a methodology dominating contemporary chemical research publications.
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