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2,4,6-Tris(2′-Pyridyl)-1,3,5-Triazine
CAS: 3682-35-7 | C18H12N6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
3682-35-7
Molecular Formula:
C18H12N6
Molecular Mass:
312.34 g/mol
Names and Synonyms:
2,4,6-Tris(2′-Pyridyl)-1,3,5-Triazine
1,3,5-Triazine, 2,4,6-tri-2-pyridinyl-
s-Triazine, 2,4,6-tri-2-pyridinyl-
2,4,6-Tri-2-pyridinyl-1,3,5-triazine
2,4,6-Tri(2′-pyridyl)-s-triazine
Tri-2-pyridyl-s-triazine
2,4,6-Tripyridyl-1,3,5-triazine
2,4,6-Tris(2-pyridyl)-s-triazine
2,4,6-Tris(2-pyridyl)-1,3,5-triazine
2,4,6-Tripyridyl-s-triazine
TPTZ (iron reagent)
2,4,6-Tri-2-pyridyl-1,3,5-triazine
2,4,6-Tri-2-pyridyl-s-triazine
TPTZ
Tri(2-pyridinyl)-s-triazine
2,4,6-(2-Pyridinyl)-s-triazine
NSC 112125
2,4,6-Tri-α-pyridyl-1,3,5-triazine
2,4,6-Tris(2′-pyridyl)-1,3,5-triazine
2,4,6-Tris(2-pyridiyl)-s-triazine
Identifiers:
SMILES:
c1ccc(-c2nc(-c3ccccn3)nc(-c3ccccn3)n2)nc1
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
Key Properties
Melting Point
210 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 312.34 g/mol | CAS Common Chemistry |
| 312.336 g/mol | RDKit | |
| 312.11234438400004 g/mol | RDKit | |
| Canonical SMILES | N=1C=CC=CC1C2=NC(=NC(=N2)C=3N=CC=CC3)C4=NC=CC=C4 | CAS Common Chemistry |
| 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 | CAS Common Chemistry |
| InChI Key | InChIKey=KMVWNDHKTPHDMT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 210 °C | CAS Common Chemistry |
| Name | 2,4,6-Tris(2′-pyridyl)-1,3,5-triazine | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 4 | RDKit |
| Topological Polar Surface Area | 77.34 Ų | RDKit |
| LogP | 3.0576000000000008 | RDKit |
| Molar Refractivity | 89.52000000000002 | RDKit |
