Cas no 502171-17-7 (Pyrazinamine, 3,6-dimethyl-N-nitroso- (9CI))
502171-17-7 structure
Product Name:Pyrazinamine, 3,6-dimethyl-N-nitroso- (9CI)
CAS No:502171-17-7
MF:C6H8N4O
MW:152.153920173645
CID:933394
PubChem ID:435177
Update Time:2025-04-19
Pyrazinamine, 3,6-dimethyl-N-nitroso- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Pyrazinamine, 3,6-dimethyl-N-nitroso- (9CI)
- SCHEMBL10344822
- DB-289012
- 502171-17-7
- PYRAZINAMINE, 3,6-DIMETHYL-N-NITROSO-
-
- Inchi： 1S/C6H8N4O/c1-4-3-7-5(2)6(8-4)9-10-11/h3H,1-2H3,(H,8,9,11)
- InChI Key： XDBINGRSZYOZIW-UHFFFAOYSA-N
- SMILES： O=NNC1C(C)=NC=C(C)N=1
Computed Properties
- Exact Mass: 152.06981089g/mol
- Monoisotopic Mass: 152.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 141
- 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: 0.6
- Topological Polar Surface Area: 67.2?2
Pyrazinamine, 3,6-dimethyl-N-nitroso- (9CI) Related Literature
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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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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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