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Molecule
2-Pyrazinecarboxylic Acid, Hydrazide
CAS: 768-05-8 · C5H6N4O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 768-05-8
- Molecular Formula
- C5H6N4O
- Molecular Mass
- 138.13 g/mol
Identifiers
CAS Registry Number
768-05-8
SMILES
NN=C(O)c1cnccn1
InChI Key
OHFIJHDYYOCZME-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N4O/c6-9-5(10)4-3-7-1-2-8-4/h1-3H,6H2,(H,9,10)
Names and Synonyms
- 2-Pyrazinecarboxylic Acid, Hydrazide Synonym
- 2-Pyrazinecarboxylic acid, hydrazide Synonym
- Pyrazinecarboxylic acid, hydrazide Synonym
- NSC 8810 Synonym
- Pyrazinylcarbonylhydrazine Synonym
- Pyrazinoic acid hydrazide Synonym
- 2-(Hydrazinocarbonyl)pyrazine Synonym
- Pyrazinecarbohydrazide Synonym
- 2-Pyrazinoyl hydrazide Synonym
- NSC 88100 Synonym
- Idv 128 Synonym
- Pyrazinic acid hydrazide Synonym
- Pyrazine-2-carboxylic hydrazide Synonym
- Pyrazine-2-carbohydrazide Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 138.13 g/mol | CAS Common Chemistry |
| 138.12999999999997 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 |
| 83.33 Ų | chempirical lib | |
| LogP | -0.3451000000000004 | RDKit |
| -0.3451 | RDKit | |
| Molar Refractivity | 35.38520000000001 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 138.054160812 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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20
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| 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.
External Resources
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MW = 138.13 g/mol. Edit any field — others recompute live.
