592-59-6 ((1,2,3,5-Tetrazine)

快速询单

结构式：

1,2,3,5-TetrazineMOL文件

CAS号：

592-59-6

英文名称：

1,2,3,5-Tetrazine

分子式：

C₂H₂N₄

分子量：

82.0640788078308

1,2,3,5-Tetrazine(592-59-6)名称与标识符

名称

英文别名：

1,2,3,5-Tetrazine;DTXSID60498464;Q27119815;592-59-6;CHEBI:39324;

标识符

InChIKey：

ZFXBERJDEUDDMX-UHFFFAOYSA-N

Inchi：

1S/C2H2N4/c1-3-2-5-6-4-1/h1-2H

SMILES：

N1C=NN=NC=1

1,2,3,5-Tetrazine(592-59-6)物化性质

实验特性

PSA : 51.56

计算特性

精确分子量 : 82.02806
氢键供体数量 : 0
氢键受体数量 : 4
可旋转化学键数量 : 0
同位素质量 : 82.027946081g/mol
重原子数量 : 6
复杂度 : 32.5
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : -0.9
拓扑分子极性表面积 : 51.6Å²

1,2,3,5-Tetrazine(592-59-6)相关文献

1. Calculation of magnetic response properties of tetrazines
Mesías Orozco-Ic,Christian A. Celaya,Dage Sundholm RSC Adv. 2020 10 18124
2. A novel series of phenolic temozolomide (TMZ) esters with 4 to 5-fold increased potency, compared to TMZ, against glioma cells irrespective of MGMT expression
Leroy Shervington,Oliver Ingham,Amal Shervington RSC Adv. 2020 10 17561
3. Fused heterocycle-based energetic materials (2012–2019)
Haixiang Gao,Qinghua Zhang,Jean'ne M. Shreeve J. Mater. Chem. A 2020 8 4193
4. 1,2,4,5-Tetrazine derivatives as components and precursors of photo- and electroactive materials
Galina N. Lipunova,Emiliya V. Nosova,Grigory V. Zyryanov,Valery N. Charushin,Oleg N. Chupakhin Org. Chem. Front. 2021 8 5182
5. The unique synthesis and energetic properties of a novel fused heterocycle: 7-nitro-4-oxo-4,8-dihydro-[1,2,4]triazolo[5,1-d][1,2,3,5]tetrazine 2-oxide and its energetic salts
Chengming Bian,Xiao Dong,Xiuhui Zhang,Zhiming Zhou,Man Zhang,Chuan Li J. Mater. Chem. A 2015 3 3594
6. Studies on the synthesis and properties of nitramino compounds based on tetrazine backbones
Shiyu Zhang,Guangbin Cheng,Hongwei Yang Dalton Trans. 2020 49 5590
7. 8π-Six-atom rings: 1,3,4,5-oxa- and -thia-triazines and 1,2,3,5-tetrazines from an extended tandem reaction: reactions of 1,2,3-triazolium-1-imides with (E)-cinnamaldehyde, methyl cyanodithioformate, and aryl-N-sulphinylamines: new tetrahydro-oxazolo[4,5-d]-1,2,3-triazoliumides and triazaspiro-[4.4]nonanes. Azolium 1,3-dipoles. Part 4
Richard N. Butler,Ann M. Evans,Eithne M. McNeela,Gerard A. O'Halloran,Paul D. O'Shea,Desmond Cunningham,Patrick McArdle J. Chem. Soc. Perkin Trans. 1 1990 2527
8. Molecular energy levels of azines; ab initio calculations and correlation with photoelectron spectroscopy
Michael H. Palmer,A. J. Gaskell,R. H. Findlay J. Chem. Soc. Perkin Trans. 2 1974 778
9. Molecular energy levels of azines; ab initio calculations and correlation with photoelectron spectroscopy
Michael H. Palmer,A. J. Gaskell,R. H. Findlay J. Chem. Soc. Perkin Trans. 2 1974 778
10. Antitumor imidazo[5,1-d]-1,2,3,5-tetrazines: compounds modified at the 3-position overcome resistance in human glioblastoma cell lines
David Cousin,Jihong Zhang,Marc G. Hummersone,Charles S. Matthews,Mark Frigerio,Tracey D. Bradshaw,Malcolm F. G. Stevens Med. Chem. Commun. 2016 7 2332

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960化工网为您提供1,2,3,5-Tetrazine专业化合物百科信息，包括中文名，英文名，分子式，分子量，以及该化合物的CasNo.592-59-6,相关理化性质;并提供了优质生产厂家信息包括厂家名称和联系方式等。 WAP版:592-59-6 国际站:592-59-6