Cas no 2256746-98-0 (2-(1H-pyrazol-1-yl-d3)pyrimidin-4,6-d2-5-amine)
2256746-98-0 structure
Product Name:2-(1H-pyrazol-1-yl-d3)pyrimidin-4,6-d2-5-amine
CAS No:2256746-98-0
MF:C7H7N5
MW:166.194788217545
CID:6828577
PubChem ID:172404830
Update Time:2025-03-02
2-(1H-pyrazol-1-yl-d3)pyrimidin-4,6-d2-5-amine Chemical and Physical Properties
Names and Identifiers
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- 2256746-98-0
- 2-(1H-pyrazol-1-yl-d3)pyrimidin-4,6-d2-5-amine
- CS-27816
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- Inchi： 1S/C7H7N5/c8-6-4-9-7(10-5-6)12-3-1-2-11-12/h1-5H,8H2/i1D,2D,3D,4D,5D
- InChI Key： WSBRRUMBUYFLCL-RALIUCGRSA-N
- SMILES： N1(C([2H])=C([2H])C([2H])=N1)C1N=C([2H])C(=C([2H])N=1)N
Computed Properties
- Exact Mass: 166.10152897Da
- Monoisotopic Mass: 166.10152897Da
- Isotope Atom Count: 5
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 143
- 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: 69.6?2
2-(1H-pyrazol-1-yl-d3)pyrimidin-4,6-d2-5-amine Related Literature
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
2256746-98-0 (2-(1H-pyrazol-1-yl-d3)pyrimidin-4,6-d2-5-amine) Related Products
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