Cas no 348-30-1 ([1,2,4]Triazolo[1,5-a][1,3,5]triazine)
![[1,2,4]Triazolo[1,5-a][1,3,5]triazine structure](https://ossimg.kuujia.com/scimg/500/348-30-1x500.png)
348-30-1 structure
Product Name:[1,2,4]Triazolo[1,5-a][1,3,5]triazine
[1,2,4]Triazolo[1,5-a][1,3,5]triazine Chemical and Physical Properties
Names and Identifiers
-
- [1,2,4]Triazolo[1,5-a][1,3,5]triazine
- 1,2,4-triazolo[1,5-a][1,3,5]triazine
- (1,2,4)triazolo(1,5-a)(1,3,5)triazine
- SCHEMBL795326
- 348-30-1
- DTXSID10620293
-
- Inchi： 1S/C4H3N5/c1-5-3-9-4(6-1)7-2-8-9/h1-3H
- InChI Key： PAFFEGQVFMTHTO-UHFFFAOYSA-N
- SMILES： N12C=NC=NC1=NC=N2
Computed Properties
- Exact Mass: 121.03899
- Monoisotopic Mass: 121.03884512g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 105
- 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: -0.1
- Topological Polar Surface Area: 56?2
Experimental Properties
- PSA: 55.97
[1,2,4]Triazolo[1,5-a][1,3,5]triazine Related Literature
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1. Adenine isosteres with bridgehead nitrogen. Part 1. Two independent syntheses of the [1,2,4]triazolo[1,5-a][1,3,5]triazine ring system leading to a range of substituents in the 2, 5 and 7 positionsPeter W. R. Caulkett,Geraint Jones,Mary McPartlin,Nigel D. Renshaw,Sarah K. Stewart,Brian Wright J. Chem. Soc. Perkin Trans. 1 1995 801
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Jinchao Ma,Guangbin Cheng,Xuehai Ju,Zhenxin Yi,Shunguan Zhu,Zaichao Zhang,Hongwei Yang Dalton Trans. 2018 47 14483
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Ab Majeed Ganai,Tabasum Khan Pathan,Nisar Sayyad,Babita Kushwaha,Narva Deshwar Kushwaha,Andreas G. Tzakos,Rajshekhar Karpoormath RSC Adv. 2022 12 2102
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4. Triazines and related products. Part 26. Synthesis and chemistry of bicyclic analogues of the antitumour drug 2,4,6-tris(dimethylamino)-1,3,5-triazine (hexamethylmelamine)Simon P. Langdon,Richard J. Simmonds,Malcolm F. G. Stevens J. Chem. Soc. Perkin Trans. 1 1984 993
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Anton V. Dolzhenko,Svetlana A. Kalinina,Dmitrii V. Kalinin RSC Adv. 2013 3 15850
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