CAS 1046-56-6|5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine|5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazine|5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine|PDT|3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine|3-(2-吡...

General Information

Structure

Molecular Formula

C₂₀H₁₄N₄

Molecular Mass

310.35196

Exact Mass

310.12184647

Charge

InChI

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

InChIKey

OTMYLOBWDNFTLO-UHFFFAOYSA-N

Canonic Smiles

c1ccc(cc1)c1nc(nnc1c1ccccc1)c1ccccn1

Isomeric Smiles

n1c(nnc(c1c1ccccc1)c1ccccc1)c1ccccn1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.503904

LogD (pH = 7.4)

4.5039234

Log P

4.5039234

Molar Refractivity

104.9962

Polarizability

39.176258

Polar Surface Area

51.56

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Academic Data

Commercial Catalog

Data Source

Names and Identifiers

IUPAC name

5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine

Synonyms

5,6-diphenyl-3-(2-pyridyl)-1,2,4-triazinePDT3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine3-(2-吡啶基)-5,6-二苯基-1,2,4-三嗪5,6-Diphenyl-3-(2-pyridyl)-1,2,4-triazine5,6-二苯基-3-(2-吡啶基)-1,2,4-三嗪3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine5,6-Diphenyl-3-(2-pyridyl)-1,2 4-triazine5,6-联苯基-3-(2-吡啶基)-1,2,4-三吖嗪

IUPAC Traditional name

5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine

Names and Identifiers

Registration numbers

EC Number

MDL Number

Beilstein Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties

Physical Property

Melting Point

191-193 °C(lit.)

190-193 °C

189-192°C

Properties

Related Proteins

No Data Available

Click here to submit data

Molecular Spectra

No Data Available

Click here to submit data

Molecule Details

Sigma Aldrich

160415

Packaging
5 g in glass bottle

82945

Other Notes
Reagent for the extraction-spectrophotometric determination of Fe(II) and Ru(II)1,2

Molecule Details

References

PubChem Literature

From Data Sources

• Reagent for the determination of Cu, and for the spectrophotometric determination of Fe(II) and Ru(II): Anal. Chem., 46, 992 (1974); Anal. Chim. Acta, 78, 423 (1975).

References

Bioactivity

PubChem BioAssay

Bioactivity

Data Source

Academic Data

Commercial Catalog

Names and Identifiers

IUPAC name

5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine

Synonyms

IUPAC Traditional name

5,6-diphenyl-3-(pyridin-2-yl)-1,2,4-triazine

Registration numbers

EC Number

MDL Number

Beilstein Number

CAS Number

PubChem SID

PubChem CID

Properties

Physical Property

Melting Point

191-193 °C(lit.)

190-193 °C

189-192°C

Molecule Details

Sigma Aldrich

160415

Packaging
5 g in glass bottle

82945

Other Notes
Reagent for the extraction-spectrophotometric determination of Fe(II) and Ru(II)1,2

References

PubChem Literature

From Data Sources

• Reagent for the determination of Cu, and for the spectrophotometric determination of Fe(II) and Ru(II): Anal. Chem., 46, 992 (1974); Anal. Chim. Acta, 78, 423 (1975).

Bioactivity

PubChem BioAssay

Molecule

ID:85529