Cas no 2241865-21-2 (1H-pyrazol-3,5-d2-4-amine)
1H-pyrazol-3,5-d2-4-amine structure
Product Name:1H-pyrazol-3,5-d2-4-amine
CAS No:2241865-21-2
MF:C3H5N3
MW:85.1042230129242
CID:6804627
PubChem ID:172405270
Update Time:2025-01-08
1H-pyrazol-3,5-d2-4-amine Chemical and Physical Properties
Names and Identifiers
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- 2241865-21-2
- 1H-pyrazol-3,5-d2-4-amine
- CS-27576
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- Inchi： 1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)/i1D,2D
- Inchi： InChI=1S/C3H5N3/c4-3-1-5-6-2-3/h1-2H,4H2,(H,5,6)/i1D,2D
- InChI Key： AXINVSXSGNSVLV-QDNHWIQGSA-N
- SMILES： N1C([2H])=C(C([2H])=N1)N
- SMILES： [2H]C1=C(C(=NN1)[2H])N
Computed Properties
- Exact Mass: 85.060900664Da
- Monoisotopic Mass: 85.060900664Da
- Isotope Atom Count: 2
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 45.3
- 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: -1.1
- Topological Polar Surface Area: 54.7?2
1H-pyrazol-3,5-d2-4-amine Related Literature
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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