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2-Pyrazinecarboxylic Acid, Hydrazide
CAS: 768-05-8 | C5H6N4O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
768-05-8
Molecular Formula:
C5H6N4O
Molecular Mass:
138.13 g/mol
Names and Synonyms:
2-Pyrazinecarboxylic Acid, Hydrazide
2-Pyrazinecarboxylic acid, hydrazide
Pyrazinecarboxylic acid, hydrazide
NSC 8810
Pyrazinylcarbonylhydrazine
Pyrazinoic acid hydrazide
2-(Hydrazinocarbonyl)pyrazine
Pyrazinecarbohydrazide
2-Pyrazinoyl hydrazide
NSC 88100
Idv 128
Pyrazinic acid hydrazide
Pyrazine-2-carboxylic hydrazide
Pyrazine-2-carbohydrazide
Identifiers:
SMILES:
NN=C(O)c1cnccn1
InChI:
InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
Key Properties
Melting Point
169 °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 | 138.13 g/mol | CAS Common Chemistry |
| 138.12999999999997 g/mol | RDKit | |
| 138.054160812 g/mol | RDKit | |
| Canonical SMILES | O=C(NN)C1=NC=CN=C1 | CAS Common Chemistry |
| InChI | InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10) | CAS Common Chemistry |
| InChI Key | InChIKey=OHFIJHDYYOCZME-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 169 °C | CAS Common Chemistry |
| Name | 2-Pyrazinecarboxylic acid, hydrazide | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 84.39 Ų | RDKit |
| LogP | -0.3451000000000004 | RDKit |
| Molar Refractivity | 35.38520000000001 | RDKit |
