CAS 3682-35-7|2,4,6-TRIPYRIDYL-S-TRIAZINE TRIHYDRATE|TPTZ|tris(pyridin-2-yl)-1,3,5-triazine|2,4,6-Tris(2-pyridyl)-s-triazine|tris(pyridin-2-yl)-1,3,5-triazine|2,4,6-三(2-吡啶基)三嗪|2,4,6-三(2-吡啶)...

General Information

Structure

Molecular Formula

C₁₈H₁₂N₆

Molecular Mass

312.32808

Exact Mass

312.11234441

Charge

InChI

InChI=1S/C18H12N6/c1-4-10-19-13(7-1)16-22-17(14-8-2-5-11-20-14)24-18(23-16)15-9-3-6-12-21-15/h1-12H

InChIKey

KMVWNDHKTPHDMT-UHFFFAOYSA-N

Canonic Smiles

c1ccc(nc1)c1nc(nc(n1)c1ccccn1)c1ccccn1

Isomeric Smiles

c1cnc(cc1)c1nc(nc(n1)c1ncccc1)c1ncccc1

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.418926

LogD (pH = 7.4)

4.4190187

Log P

4.4190197

Molar Refractivity

121.1682

Polarizability

35.86662

Polar Surface Area

77.34

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2,4,6-TRIPYRIDYL-S-TRIAZINE TRIHYDRATETPTZ2,4,6-Tris(2-pyridyl)-s-triazine2,4,6-三(2-吡啶基)三嗪2,4,6-三(2-吡啶)-1,3,5-三嗪2,4,6-Tris(2-pyridyl)-s-triazine2,4,6-Tri(2-pyridyl)-s-triazine2,4,6-Tri(2-pyridyl)-1,3,5-triazine2,4,6-三(2-吡啶基)-1,3,5-三嗪

IUPAC name

tris(pyridin-2-yl)-1,3,5-triazine

IUPAC Traditional name

tris(pyridin-2-yl)-1,3,5-triazine

Names and Identifiers

Registration numbers

CAS Number

3682-35-7

EC Number

222-965-9

MDL Number

MFCD00006045