5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine - ≥98% , CAS No.1046-56-6

CAS: 1046-56-6 Cat. No.: D155493 Peso molecular: 310.36 Beilstein Registry Number: 542151 Número EC: 213-878-7

GRADE & PURITY ≥98%

Synonyms

PDT | D84148 | 5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine | FT-0613588 | EINECS 213-878-7 | EU-0001368 | BIM-0025839.P001 | 5,6-di(phenyl)-3-pyridin-2-yl-1,2,4-triazine | BRN 0542151 | D1201 | SCHEMBL149565 | Bio7C7 | AS-64877 | DTXSID8061428 | 3-(2-Pyr

Storage

Room temperature

Shipped In

Normal

Descripción general

Usually used as chromogenic-extraction reagent during spectrophotometric determination of iron in acids and acidic solutions.And also employed as precolumn derivatizing reagent in the HPLC method with UV absorbance detection for the Fe(II) determination.

Specifications

Sinónimos

PDT | D84148 | 5, 6-diphenyl-3-(pyridin-2-yl)-1, 2, 4-triazine | FT-0613588 | EINECS 213-878-7 | EU-0001368 | BIM-0025839.P001 | 5, 6-di(phenyl)-3-pyridin-2-yl-1, 2, 4-triazine | BRN 0542151 | D1201 | SCHEMBL149565 | Bio7C7 | AS-64877 | DTXSID8061428 | 3-(2-Pyr

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504754547
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754547
• Sonrisas canónicas: C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4
• IUPAC Name: 5,6-diphenyl-3-pyridin-2-yl-1,2,4-triazine
• InChIKey: OTMYLOBWDNFTLO-UHFFFAOYSA-N
• INCHI: 1S/C20H14N4/c1-3-9-15(10-4-1)18-19(16-11-5-2-6-12-16)23-24-20(22-18)17-13-7-8-14-21-17/h1-14H
• Isómeros SMILES: C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4
• WGK Alemania: 3
• RTECS: XY8598150
• Peso molecular: 310.36
• Beilstein: 542151
• Reaxy-Rn: 542151
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=542151&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Triazines
• Subclass: 1,2,4-triazines
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,2,4-triazines
• Alternative Parents: Pyridines and derivatives Benzene and substituted derivatives Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 1,2,4-triazine - Benzenoid - Pyridine - Monocyclic benzene moiety - Heteroaromatic compound - 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 1,2,4-triazines. These are compounds containing a triazine ring, which is a heterocyclic ring, similar to the six-member benzene ring but with three carbons replaced by nitrogen atoms, at ring positions 1, 2, and 4.
• 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

Objetivos asociados (humanos)

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Discover Target: MYC

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MYCN Tbio N-myc proto-oncogene protein (25 Activities)

Discover Target: MYCN

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Objetivos asociados (no humanos)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water.
• Punto de fusión (°C): 190 °C
• Peso molecular: 310.400 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 310.122 Da
• Monoisotopic Mass: 310.122 Da
• Topological Polar Surface Area: 51.600 Ų
• Heavy Atom Count: 24
• Formal Charge: 0
• Complexity: 376.000
• 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