Cas no 59105-06-5 (1,2,4-Triazolo[3,4-c][1,2,4]triazin-5(8H)-one, 8-methyl-)
![1,2,4-Triazolo[3,4-c][1,2,4]triazin-5(8H)-one, 8-methyl- structure](https://ossimg.kuujia.com/scimg/59500/59105-06-5x500.png)
59105-06-5 structure
Product Name:1,2,4-Triazolo[3,4-c][1,2,4]triazin-5(8H)-one, 8-methyl-
CAS No:59105-06-5
MF:C5H5N5O
MW:151.126099348068
CID:339826
PubChem ID:591883
Update Time:2025-04-19
1,2,4-Triazolo[3,4-c][1,2,4]triazin-5(8H)-one, 8-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Triazolo[3,4-c][1,2,4]triazin-5(8H)-one, 8-methyl-
- 8-methyl-[1,2,4]triazolo[3,4-c][1,2,4]triazin-5-one
- NIYXLQKJUWMMKN-UHFFFAOYSA-N
- 59105-06-5
- 8-Methyl-5-oxo-5,8-dihydro-(1,2,4)-triazolo[3,4-c](1,2,4)-triazine
- DTXSID50343732
- 8-Methyl[1,2,4]triazolo[3,4-c][1,2,4]triazin-5(8H)-one #
-
- Inchi： 1S/C5H5N5O/c1-9-5-8-6-3-10(5)4(11)2-7-9/h2-3H,1H3
- InChI Key： NIYXLQKJUWMMKN-UHFFFAOYSA-N
- SMILES： O=C1C=NN(C)C2=NN=CN21
Computed Properties
- Exact Mass: 151.04955
- Monoisotopic Mass: 151.04940980g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 11
- Rotatable Bond Count: 0
- Complexity: 215
- 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: -0.3
- Topological Polar Surface Area: 63.4?2
Experimental Properties
- PSA: 63.38
1,2,4-Triazolo[3,4-c][1,2,4]triazin-5(8H)-one, 8-methyl- Related Literature
-
Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Congyu Li,Wenfu Wang,Haiyan Wang,Guokai Yan,Weiyang Dong,Zhaosheng Chu,Huan Wang,Yang Chang RSC Adv., 2021,11, 26721-26731
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