Cas no 117311-39-4 (1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione,tetrahydro-)
![1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione,tetrahydro- structure](https://ossimg.kuujia.com/scimg/117500/117311-39-4x500.png)
117311-39-4 structure
Product Name:1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione,tetrahydro-
CAS No:117311-39-4
MF:C6H9N3O2
MW:155.154560804367
CID:131540
PubChem ID:121226612
Update Time:2025-04-19
1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione,tetrahydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione,tetrahydro-
- Tetrahydro-1H-pyrrolo[3,4-b]pyrazine-5,7(6H,7aH)-dione
- 117311-39-4
- 1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione, tetrahydro-
-
- Inchi： 1S/C6H9N3O2/c10-5-3-4(6(11)9-5)8-2-1-7-3/h3-4,7-8H,1-2H2,(H,9,10,11)
- InChI Key： VTRKGKQMUPPIQQ-UHFFFAOYSA-N
- SMILES： O=C1C2C(C(N1)=O)NCCN2
Computed Properties
- Exact Mass: 155.06957
- Monoisotopic Mass: 155.069
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 194
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 70.2A^2
- XLogP3: -1.9
Experimental Properties
- PSA: 70.23
1H-Pyrrolo[3,4-b]pyrazine-5,7(2H,6H)-dione,tetrahydro- Related Literature
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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