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290-96-0 | 1,2,4,5-Tetrazine
CAS No: 290-96-0 Catalog No: AG002V5S MDL No:MFCD01682602
Product Description
Catalog Number:
AG002V5S
Chemical Name:
1,2,4,5-Tetrazine
CAS Number:
290-96-0
Molecular Formula:
C2H2N4
Molecular Weight:
82.0641
MDL Number:
MFCD01682602
IUPAC Name:
1,2,4,5-tetrazine
InChI:
InChI=1S/C2H2N4/c1-3-5-2-6-4-1/h1-2H
InChI Key:
HTJMXYRLEDBSLT-UHFFFAOYSA-N
SMILES:
n1ncnnc1
Properties
Complexity:
26.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
82.028g/mol
Formal Charge:
0
Heavy Atom Count:
6
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
82.066g/mol
Monoisotopic Mass:
82.028g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
51.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.4
Literature
| Title | Journal |
|---|---|
| Characterization of nitrogen-bridged 1,2,4,5-tetrazine-, furazan-, and 1H-tetrazole-based polyheterocyclic compounds: heats of formation, thermal stability, and detonation properties. | Journal of molecular modeling 20120801 |
| 3,6-Bis(4-chloro-phen-yl)-N,N-bis-(1-phenyl-eth-yl)-1,2,4,5-tetra-zine-1,4-di-carboxamide. | Acta crystallographica. Section E, Structure reports online 20120301 |
| (3,6-Dimethyl-1,2,4,5-tetra-zine-1,4-di-yl)bis-[(morpholin-4-yl)methanone]. | Acta crystallographica. Section E, Structure reports online 20120301 |
| 3,6-Dimethyl-N,N-bis-(pyridin-2-yl)-1,2,4,5-tetra-zine-1,4-dicarboxamide. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Clicking 1,2,4,5-tetrazine and cyclooctynes with tunable reaction rates. | Chemical communications (Cambridge, England) 20120207 |
| 3,6-Dimethyl-N,N-bis-(1-phenyl-eth-yl)-1,4-dihydro-1,2,4,5-tetra-zine-1,4-dicarboxamide. | Acta crystallographica. Section E, Structure reports online 20120201 |
| Targeting strategies for multifunctional nanoparticles in cancer imaging and therapy. | Theranostics 20120101 |
| Magnetic Nanoparticles and microNMR for Diagnostic Applications. | Theranostics 20120101 |
| N'-[6-(3,5-Dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetra-zin-3-yl]butano-hydrazide. | Acta crystallographica. Section E, Structure reports online 20111201 |
| Nitrogen substituted phenothiazine derivatives: modelling of molecular self-assembling. | International journal of molecular sciences 20110101 |
| N'-[6-(3,5-Dimethylpyrazol-1-yl)-1,2,4,5-tetrazin-3-yl]propanohydrazide. | Acta crystallographica. Section E, Structure reports online 20101101 |
| Stacking and spreading interaction in N-heteroaromatic systems. | The journal of physical chemistry. A 20100916 |
| Total synthesis of lycogarubin C and lycogalic acid. | Organic letters 20100305 |
| Molecular design of 1,2,4,5-tetrazine-based high-energy density materials. | The journal of physical chemistry. A 20090820 |
| 1,2,4,5-tetrazine: an unprecedented micro4-coordination that enhances ability for anion pi interactions. | Dalton transactions (Cambridge, England : 2003) 20090421 |
| 4,4'-(1,2,4,5-Tetra-zine-3,6-di-yl)dibenzo-nitrile. | Acta crystallographica. Section E, Structure reports online 20090401 |
| Antimicrobial studies of some novel quinazolinones fused with [1,2,4]-triazole, [1,2,4]-triazine and [1,2,4,5]-tetrazine rings. | European journal of medicinal chemistry 20090301 |
| Predicting solid-state heats of formation of newly synthesized polynitrogen materials by using quantum mechanical calculations. | The journal of physical chemistry. A 20081120 |
| Theoretical study on the complexes of benzene with isoelectronic nitrogen-containing heterocycles. | Chemphyschem : a European journal of chemical physics and physical chemistry 20080516 |
| Silver(I) ions bridged by pyridazine: doubling the ligand functionality for the design of unusual 3D coordination frameworks. | Dalton transactions (Cambridge, England : 2003) 20070921 |
| 4,4'-Bipyridazine: a new twist for the synthesis of coordination polymers. | Dalton transactions (Cambridge, England : 2003) 20070807 |
| Approaches to open fullerenes: synthesis and kinetic stability of diels-alder adducts of substituted isobenzofurans and C60. | The Journal of organic chemistry 20070413 |
| Synthesis, anticonvulsant, and anti-inflammatory activities of some new benzofuran-based heterocycles. | Archiv der Pharmazie 20060301 |
| Total synthesis of ningalin D. | Journal of the American Chemical Society 20050803 |
| High-frequency EPR study of reduced diruthenium and dirhenium polypyridine complexes based on the 1,2,4,5-tetrazine radical bridge. | Dalton transactions (Cambridge, England : 2003) 20041107 |
| Novel enantiopure ferrugininoids active as nicotinic agents: synthesis and radioligand binding studies. | Die Pharmazie 20040601 |
| Asymmetric total synthesis of ent-(-)-roseophilin: assignment of absolute configuration. | Journal of the American Chemical Society 20010905 |
| The stable diiron(2.5) complex ion [(NC)(5)Fe(mu-tz)Fe(CN)5](5-), tz = 1,2,4,5-tetrazine, and its neighboring oxidation states. | Inorganic chemistry 20010507 |
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