Cas no 25773-39-1 (3-propyl-2(1H)-Pyrazinone)
3-propyl-2(1H)-Pyrazinone structure
Product Name:3-propyl-2(1H)-Pyrazinone
CAS No:25773-39-1
MF:C7H10N2O
MW:138.167101383209
CID:2113750
PubChem ID:12826353
Update Time:2025-04-21
3-propyl-2(1H)-Pyrazinone Chemical and Physical Properties
Names and Identifiers
-
- 3-propyl-2(1H)-Pyrazinone
- 3-Propyl-1H-pyrazin-2-on
- 3-propyl-1H-pyrazin-2-one
- 25773-39-1
- DA-23242
- AKOS006357484
- SCHEMBL14206716
- SCHEMBL5112947
-
- Inchi： 1S/C7H10N2O/c1-2-3-6-7(10)9-5-4-8-6/h4-5H,2-3H2,1H3,(H,9,10)
- InChI Key： OUIAUQHSLHKLOQ-UHFFFAOYSA-N
- SMILES： O=C1C(CCC)=NC=CN1
Computed Properties
- Exact Mass: 138.07900
- Monoisotopic Mass: 138.079312947Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 194
- 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: 0.1
- Topological Polar Surface Area: 41.5?2
Experimental Properties
- PSA: 45.75000
- LogP: 0.72240
3-propyl-2(1H)-Pyrazinone Related Literature
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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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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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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