Cas no 155372-97-7 (2-Amino-1-methyl-1H-imidazole-5-carbonitrile)
155372-97-7 structure
Product Name:2-Amino-1-methyl-1H-imidazole-5-carbonitrile
CAS No:155372-97-7
MF:C5H6N4
MW:122.12793970108
CID:106964
Update Time:2023-08-02
2-Amino-1-methyl-1H-imidazole-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 1H-Imidazole-5-carbonitrile,2-amino-1-methyl-
- 1H-Imidazole-5-carbonitrile,2-amino-1-methyl-(9CI)
- 2-amino-1-methyl-1H-imidazole-5-carbonitrile
- 2-Amino-1-methyl-1H-imidazole-5-carbonitrile
-
- Inchi： 1S/C5H6N4/c1-9-4(2-6)3-8-5(9)7/h3H,1H3,(H2,7,8)
- InChI Key： FDJSJMYOEOCREJ-UHFFFAOYSA-N
- SMILES： N1(C)C(C#N)=CN=C1N
Computed Properties
- Exact Mass: 122.059
- Monoisotopic Mass: 122.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 146
- 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
- Topological Polar Surface Area: 67.6
2-Amino-1-methyl-1H-imidazole-5-carbonitrile Related Literature
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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