Cas no 129454-21-3 (1,2,4-Triazine-3,5(2H,4H)-dione,6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]- (9CI))
![1,2,4-Triazine-3,5(2H,4H)-dione,6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]- (9CI) structure](https://ossimg.kuujia.com/scimg/129500/129454-21-3x500.png)
129454-21-3 structure
Product Name:1,2,4-Triazine-3,5(2H,4H)-dione,6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]- (9CI)
CAS No:129454-21-3
MF:C9H13N3O4
MW:227.217221975327
CID:191164
PubChem ID:452172
Update Time:2025-04-19
1,2,4-Triazine-3,5(2H,4H)-dione,6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazine-3,5(2H,4H)-dione,6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]- (9CI)
- DTXSID70926405
- SCHEMBL2035791
- 1,2,4-Triazine-3,5(2H,4H)-dione, 6-methyl-2-(tetrahydro-5-(hydroxymethyl)-2-furanyl)-
- 129454-21-3
- 1,2,4-Triazine-3,5(2H,4H)-dione, 6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-
- 5-Hydroxy-2-[5-(hydroxymethyl)oxolan-2-yl]-6-methyl-1,2,4-triazin-3(2H)-one
- 2-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-6-methyl-1,2,4-triazine-3,5-dione
- 6-Aza-ddT
- 3'-Deoxy-6-azathymidine
-
- Inchi： 1S/C9H13N3O4/c1-5-8(14)10-9(15)12(11-5)7-3-2-6(4-13)16-7/h6-7,13H,2-4H2,1H3,(H,10,14,15)/t6-,7+/m0/s1
- InChI Key： OPMYUIBNAPLLAM-NKWVEPMBSA-N
- SMILES： O1[C@H](CO)CC[C@@H]1N1C(NC(C(C)=N1)=O)=O
Computed Properties
- Exact Mass: 227.09060590g/mol
- Monoisotopic Mass: 227.09060590g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 355
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 2
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.9
- Topological Polar Surface Area: 91.2?2
1,2,4-Triazine-3,5(2H,4H)-dione,6-methyl-2-[tetrahydro-5-(hydroxymethyl)-2-furanyl]- (9CI) Related Literature
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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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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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