Cas no 151675-62-6 (Ethanone,1-(3-acetyl-1H-1,2,4-triazol-5-yl)-)
151675-62-6 structure
Product Name:Ethanone,1-(3-acetyl-1H-1,2,4-triazol-5-yl)-
CAS No:151675-62-6
MF:C6H7N3O2
MW:153.138680696487
CID:99468
PubChem ID:638658
Update Time:2025-04-18
Ethanone,1-(3-acetyl-1H-1,2,4-triazol-5-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(3-acetyl-1H-1,2,4-triazol-5-yl)-
- Ethanone, 1,1-(1H-1,2,4-triazole-3,5-diyl)bis- (9CI)
- 1-(3-acetyl-1H-1,2,4-triazol-5-yl)ethanone
- 1,1'-(1H-1,2,4-triazole-3,5-diyl)diethanone
- 151675-62-6
- ethanone, 1,1'-(1H-1,2,4-triazole-3,5-diyl)bis-
- 3,5-diacetyl-1h-1,2,4-triazol
- InChI=1/C6H7N3O2/c1-3(10)5-7-6(4(2)11)9-8-5/h1-2H3,(H,7,8,9
-
- Inchi： 1S/C6H7N3O2/c1-3(10)5-7-6(4(2)11)9-8-5/h1-2H3,(H,7,8,9)
- InChI Key： BSENWGNTNMQPEQ-UHFFFAOYSA-N
- SMILES： O=C(C)C1=NC(C(C)=O)=NN1
Computed Properties
- Exact Mass: 153.053826475g/mol
- Monoisotopic Mass: 153.053826475g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 192
- 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
- Topological Polar Surface Area: 75.7?2
Ethanone,1-(3-acetyl-1H-1,2,4-triazol-5-yl)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Martin R. Ward,Gary W. Copeland,Andrew J. Alexander Chem. Commun., 2010,46, 7634-7636
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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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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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