3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetrazine - ≥97% , CAS No.30169-25-6

CAS: 30169-25-6 Cat. No.: B588638 Peso molecular: 270.29 Número EC: 636-888-7

GRADE & PURITY ≥97%

Synonyms

3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazine # | STK694422 | AKOS005151994 | 3,6-Bis(3,5-dimethyl-1H-pyrazol-1-yl)-1,2,4,5-tetraazine | D78136 | 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine | 3,6-bis(3,5-dimethylpyrazolyl)-1,2,4,5-tetra

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

3, 6-Bis(3, 5-dimethyl-1H-pyrazol-1-yl)-1, 2, 4, 5-tetraazine # | STK694422 | AKOS005151994 | 3, 6-Bis(3, 5-dimethyl-1H-pyrazol-1-yl)-1, 2, 4, 5-tetraazine | D78136 | 3, 6-bis(3, 5-dimethylpyrazol-1-yl)-1, 2, 4, 5-tetrazine | 3, 6-bis(3, 5-dimethylpyrazolyl)-1, 2, 4, 5-tetra

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759338
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759338
• Sonrisas canónicas: CC1=CC(=NN1C2=NN=C(N=N2)N3C(=CC(=N3)C)C)C
• IUPAC Name: 3,6-bis(3,5-dimethylpyrazol-1-yl)-1,2,4,5-tetrazine
• InChIKey: FPKOARNUITZHCF-UHFFFAOYSA-N
• INCHI: 1S/C12H14N8/c1-7-5-9(3)19(17-7)11-13-15-12(16-14-11)20-10(4)6-8(2)18-20/h5-6H,1-4H3
• Isómeros SMILES: CC1=CC(=NN1C2=NN=C(N=N2)N3C(=CC(=N3)C)C)C
• Peso molecular: 270.29
• Reaxy-Rn: 1155995
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1155995&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Tetrazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Tetrazines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Tetrazines
• Alternative Parents: Pyrazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Tetrazine - Heteroaromatic compound - Pyrazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as tetrazines. These are organic compounds containing a tetrazine ring, which is a six-membered aromatic heterocycle made up of four nitrogen atoms and a two carbon atoms.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Peso molecular: 270.290 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 270.134 Da
• Monoisotopic Mass: 270.134 Da
• Topological Polar Surface Area: 87.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 299.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1