Cas no 170486-74-5 (Methanone, bis(1H-1,2,4-triazol-3-yl)-)
170486-74-5 structure
Product Name:Methanone, bis(1H-1,2,4-triazol-3-yl)-
CAS No:170486-74-5
MF:C5H4N6O
MW:164.124858856201
CID:1352687
Update Time:2024-08-17
Methanone, bis(1H-1,2,4-triazol-3-yl)- Chemical and Physical Properties
Names and Identifiers
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- Methanone, bis(1H-1,2,4-triazol-3-yl)-
- bis(1H-1,2,4-triazol-5-yl)methanone
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- Inchi： 1S/C5H4N6O/c12-3(4-6-1-8-10-4)5-7-2-9-11-5/h1-2H,(H,6,8,10)(H,7,9,11)
- InChI Key： VRAVWQUXPCWGSU-UHFFFAOYSA-N
- SMILES： C(C1NN=CN=1)(C1NN=CN=1)=O
Computed Properties
- Exact Mass: 164.04482
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
Experimental Properties
- PSA: 100.21
Methanone, bis(1H-1,2,4-triazol-3-yl)- Related Literature
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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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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