Cas no 111853-52-2 (3,5-bis(methoxymethyl)-1H-1,2,4-triazole)
111853-52-2 structure
Product Name:3,5-bis(methoxymethyl)-1H-1,2,4-triazole
CAS No:111853-52-2
MF:C6H11N3O2
MW:157.170440912247
CID:2607410
PubChem ID:13927750
Update Time:2025-04-21
3,5-bis(methoxymethyl)-1H-1,2,4-triazole Chemical and Physical Properties
Names and Identifiers
-
- 3,5-bis(methoxymethyl)-1H-1,2,4-triazole
- DTXSID30552663
- 111853-52-2
- DTXCID60503446
-
- Inchi： 1S/C6H11N3O2/c1-10-3-5-7-6(4-11-2)9-8-5/h3-4H2,1-2H3,(H,7,8,9)
- InChI Key： OOTPXBDRZSYPEM-UHFFFAOYSA-N
- SMILES： O(C)CC1=NC(COC)=NN1
Computed Properties
- Exact Mass: 157.085126602Da
- Monoisotopic Mass: 157.085126602Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 112
- 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: 60?2
3,5-bis(methoxymethyl)-1H-1,2,4-triazole Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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