Cas no 113139-68-7 (2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-)
113139-68-7 structure
Product Name:2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-
CAS No:113139-68-7
MF:C9H14N2O
MW:166.220262050629
CID:2610105
Update Time:2023-08-07
2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
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- 5,6-dimethyl-3-propan-2-yl-1H-pyrazin-2-one
- 2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)-
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- Inchi: 1S/C9H14N2O/c1-5(2)8-9(12)11-7(4)6(3)10-8/h5H,1-4H3,(H,11,12)
- InChI Key: VUAFUBKZULTSCO-UHFFFAOYSA-N
- SMILES: O=C1C(C(C)C)=NC(C)=C(C)N1
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 274
- Topological Polar Surface Area: 41.5
2(1H)-Pyrazinone, 5,6-dimethyl-3-(1-methylethyl)- Related Literature
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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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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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