Cas no 10505-32-5 (1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,6-hydroxy-1-methyl-)
![1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,6-hydroxy-1-methyl- structure](https://ossimg.kuujia.com/scimg/11000/10505-32-5x500.png)
10505-32-5 structure
Product Name:1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,6-hydroxy-1-methyl-
CAS No:10505-32-5
MF:C6H6N4O3
MW:182.136840343475
CID:216522
PubChem ID:265564
Update Time:2025-04-19
1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,6-hydroxy-1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,6-hydroxy-1-methyl-
- 6-hydroxy-1-methyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione
- 1-Methyl-6-hydroxy-5,7-dioxo-4,5,6,7-tetrahydro-1H-pyrazolo<4,3-d>pyrimidin
- 10505-32-5
- NSC-101745
- 6-hydroxy-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione
- 6-Hydroxy-1-methyl-1,4-dihydro-5H-pyrazolo[4,3-d]pyrimidine-5,7(6H)-dione
- NCIOpen2_001665
- NSC101745
- 6-hydroxy-1-methyl-1h-pyrazolo[4,3-d]pyrimidine-5,7(4h,6h)-dione
- DTXSID90295403
-
- Inchi： 1S/C6H6N4O3/c1-9-4-3(2-7-9)8-6(12)10(13)5(4)11/h2,13H,1H3,(H,8,12)
- InChI Key： GRXXMGIRVULBAM-UHFFFAOYSA-N
- SMILES： ON1C(NC2C=NN(C)C=2C1=O)=O
Computed Properties
- Exact Mass: 182.04400
- Monoisotopic Mass: 182.044
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 269
- 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: -1.2
- Topological Polar Surface Area: 87.5?2
Experimental Properties
- Density: 1.93
- Refractive Index: 1.834
- PSA: 92.91000
- LogP: -1.33940
1H-Pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione,6-hydroxy-1-methyl- Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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