Cas no 104893-55-2 (2-Pyrazinecarboxamide,3-(1-methylethyl)-)
104893-55-2 structure
Product Name:2-Pyrazinecarboxamide,3-(1-methylethyl)-
CAS No:104893-55-2
MF:C8H11N3O
MW:165.192441225052
CID:126527
PubChem ID:13883474
Update Time:2025-04-18
2-Pyrazinecarboxamide,3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pyrazinecarboxamide,3-(1-methylethyl)-
- Pyrazinecarboxamide,3-(1-methylethyl)- (9CI)
- Pyrazinecarboxamide, 3-(1-methylethyl)- (9CI)
- 3-Isopropylpyrazine-2-carboxamide
- 3-propan-2-ylpyrazine-2-carboxamide
- 104893-55-2
- GS2591
-
- Inchi： 1S/C8H11N3O/c1-5(2)6-7(8(9)12)11-4-3-10-6/h3-5H,1-2H3,(H2,9,12)
- InChI Key： BQMWIPMCWBMVSQ-UHFFFAOYSA-N
- SMILES： O=C(C1C(C(C)C)=NC=CN=1)N
Computed Properties
- Exact Mass: 165.09033
- Monoisotopic Mass: 165.090211983g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 68.9?2
Experimental Properties
- PSA: 68.87
2-Pyrazinecarboxamide,3-(1-methylethyl)- Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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