Cas no 59105-03-2 ([1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-)
59105-03-2 structure
Product Name:[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-
CAS No:59105-03-2
MF:C5H5N5O
MW:151.126099348068
CID:339827
PubChem ID:591929
Update Time:2025-04-19
[1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl- Chemical and Physical Properties
Names and Identifiers
-
- [1,2,4]Triazolo[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl-
- DTXSID60343743
- GARDHEHTARWJLD-UHFFFAOYSA-N
- InChI=1/C5H5N5O/c1-9-5-6-3-8-10(5)4(11)2-7-9/h2-3H,1H
- 1-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
- 4-Methyl-7-oxo-4,7-dihydro-triazolo(3,2-c)triazine
- 1-Methyl[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one #
- 59105-03-2
- 1-Methyl-[1,2,4]triazolo[5,1-c][1,2,4]triazin-4(1H)-one
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- Inchi: 1S/C5H5N5O/c1-9-5-6-3-8-10(5)4(11)2-7-9/h2-3H,1H3
- InChI Key: GARDHEHTARWJLD-UHFFFAOYSA-N
- SMILES: O=C1C=NN(C)C2=NC=NN21
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[5,1-c][1,2,4]triazin-4(1H)-one, 1-methyl- Related Literature
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Joseph W. Bennett,Diamond T. Jones,Blake G. Hudson,Joshua Melendez-Rivera,Robert J. Hamers,Sara E. Mason Environ. Sci.: Nano, 2020,7, 1642-1651
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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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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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