Cas no 23127-01-7 (2(1H)-Pyrazinone,5-methyl-3-propyl-)
23127-01-7 structure
Product Name:2(1H)-Pyrazinone,5-methyl-3-propyl-
CAS No:23127-01-7
MF:C8H12N2O
MW:152.193681716919
CID:251718
PubChem ID:45099390
Update Time:2025-04-19
2(1H)-Pyrazinone,5-methyl-3-propyl- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyrazinone,5-methyl-3-propyl-
- Pyrazinol,5-methyl-3-propyl- (8CI)
- 5-methyl-3-propyl-1H-pyrazin-2-one
- 5-Methyl-3-propylpyrazin-2(1H)-one
- DTXSID60667855
- 23127-01-7
-
- Inchi： 1S/C8H12N2O/c1-3-4-7-8(11)9-5-6(2)10-7/h5H,3-4H2,1-2H3,(H,9,11)
- InChI Key： NKCYOKSWWIYQHQ-UHFFFAOYSA-N
- SMILES： O=C1C(CCC)=NC(C)=CN1
Computed Properties
- Exact Mass: 152.09506
- Monoisotopic Mass: 152.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 228
- 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: 41.5A^2
- XLogP3: 0.5
Experimental Properties
- PSA: 41.46
2(1H)-Pyrazinone,5-methyl-3-propyl- Related Literature
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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