Cas no 77202-16-5 (1,2,3-Triazine, 4,6-dimethyl-, 2-oxide)
77202-16-5 structure
Product Name:1,2,3-Triazine, 4,6-dimethyl-, 2-oxide
CAS No:77202-16-5
MF:C5H7N3O
MW:125.128580331802
CID:536495
PubChem ID:12916292
Update Time:2025-04-19
1,2,3-Triazine, 4,6-dimethyl-, 2-oxide Chemical and Physical Properties
Names and Identifiers
-
- 1,2,3-Triazine, 4,6-dimethyl-, 2-oxide
- 4,6-dimethyl-2-oxidotriazin-2-ium
- 77202-16-5
- dimethyltriazine 2-oxide
- DTXSID40512879
- 4,6-Dimethyl-2-oxo-1,2lambda~5~,3-triazine
-
- Inchi： 1S/C5H7N3O/c1-4-3-5(2)7-8(9)6-4/h3H,1-2H3
- InChI Key： JFEFNFNZCUXQGT-UHFFFAOYSA-N
- SMILES： [O-][N+]1N=C(C)C=C(C)N=1
Computed Properties
- Exact Mass: 125.05901
- Monoisotopic Mass: 125.058911855g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 88.2
- 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: 0.2
- Topological Polar Surface Area: 51.2?2
Experimental Properties
- PSA: 52.72
1,2,3-Triazine, 4,6-dimethyl-, 2-oxide Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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