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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 Weight:
131.138 g/mol
Names and Synonyms:
Pyrido[2,3-B]Pyrazine
NSC 73508
1,4,5-Triazanaphthalene
5-Azaquinoxaline
Pyrido[2,3-b]pyrazine
Identifiers:
SMILES:
c1cnc2nccnc2c1
InChI:
InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H
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 |
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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
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 131.04834716 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 10 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 2 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.67 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.0248 | RDKit |
| molecular_mass | 131.14 g/mol | Legacy Database |
| cas-canonical-smile | N=1C=CN=C2C=CC=NC12 None | Legacy Database |
| cas-inchi | InChI=1S/C7H5N3/c1-2-6-7(9-3-1)10-5-4-8-6/h1-5H None | Legacy Database |
| cas-inchi-key | InChIKey=YEYHFKBVNARCNE-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | 147-148 °C None | Legacy Database |
| cas-name | Pyrido[2,3-b]pyrazine None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 37.33300000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 131.138 g/mol | RDKit |
