Cas no 13535-08-5 (2-Pyrazinecarboxamide,5-ethyl-)
13535-08-5 structure
Product Name:2-Pyrazinecarboxamide,5-ethyl-
CAS No:13535-08-5
MF:C7H9N3O
MW:151.165860891342
CID:119709
PubChem ID:45084318
Update Time:2025-04-18
2-Pyrazinecarboxamide,5-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarboxamide,5-ethyl-
- Pyrazinecarboxamide, 5-ethyl- (8CI,9CI)
- 5-Ethylpyrazine-2-carboxamide
- 13535-08-5
-
- Inchi： 1S/C7H9N3O/c1-2-5-3-10-6(4-9-5)7(8)11/h3-4H,2H2,1H3,(H2,8,11)
- InChI Key： NWAYJJYEQLJTLD-UHFFFAOYSA-N
- SMILES： O=C(C1=CN=C(C=N1)CC)N
Computed Properties
- Exact Mass: 151.07467
- Monoisotopic Mass: 151.075
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 149
- 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: 68.9A^2
Experimental Properties
- PSA: 68.87
2-Pyrazinecarboxamide,5-ethyl- Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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