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

CAS: 1046-56-6 Cat. No.: D155493 Molecular Weight: 310.36 Beilstein Registry Number: 542151 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504754547
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504754547
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC=C(C=C1)C2=C(N=NC(=N2)C3=CC=CC=N3)C4=CC=CC=C4
• WGK Germany: 3
• RTECS: XY8598150
• Molecular Weight: 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
    • Class Triazines
      • Subclass 1,2,4-triazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Associated Targets(Human)

MYC Tchem Myc proto-oncogene protein (1178 Activities)

Discover Target: MYC

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

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

Discover Target: MYCN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasmodium berghei (192651 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water.
• Melt Point(°C): 190 °C
• Molecular Weight: 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