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Pyrido[2,3-B]Pyrazine
CAS: 322-46-3 | C7H5N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
322-46-3
Molecular Formula:
C7H5N3
Molecular Mass:
131.14 g/mol
Names and Synonyms:
Pyrido[2,3-B]Pyrazine
Pyrido[2,3-b]pyrazine
5-Azaquinoxaline
1,4,5-Triazanaphthalene
NSC 73508
Identifiers:
SMILES:
c1cnc2nccnc2c1
InChI:
InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H
Key Properties
Melting Point
147-148 °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 | 131.14 g/mol | CAS Common Chemistry |
| 131.138 g/mol | RDKit | |
| 131.04834716 g/mol | RDKit | |
| Canonical SMILES | N=1C=CN=C2C=CC=NC12 | CAS Common Chemistry |
| InChI | InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H | CAS Common Chemistry |
| InChI Key | InChIKey=YEYHFKBVNARCNE-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 147-148 °C | CAS Common Chemistry |
| Name | Pyrido[2,3-b]pyrazine | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| LogP | 1.0248 | RDKit |
| Molar Refractivity | 37.33300000000001 | RDKit |
