- InChI
- InChI=1S/C5H5N3O/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
- InChI Key
- IPEHBUMCGVEMRF-UHFFFAOYSA-N
- Formula
- C5H5N3O
- SMILES
- NC(=O)c1cnccn1
- Molecular Weight1
- 123.11
- CAS
- 98-96-4
- Other Names
-
- 2-Carbamylpyrazine
- 2-Pyrazinecarboxamide
- Aldinamid
- Aldinamide
- D-50
- Eprazin
- Farmizina
- MK 56
- NCI-C01785
- NSC 14911
- Novamid
- PZA
- Pirazimida
- Pirazinamid
- Pyrafat
- Pyrazine Carboxylamide
- Pyrazineamide
- Pyrazinecarboxylic acid amide
- Pyrazinoic acid amide
- T 165
- Tebrazid
- Unipyranamide
- Zinamide
- pyrazinecarboxamide
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (kJ/mol).
- ΔsubH : Enthalpy of sublimation at a given temperature (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- ρs : Solid Density (kg/m3).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
Cheméo can also estimate Normal Boiling Point Temperature, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 30.28 | kJ/mol | 463.00 | NIST |
| ΔsubH | 87.90 | kJ/mol | 368.00 | NIST |
| ρs | 1100.00 | kg/m3 | 298.15 | Experimental thermochemical study of three monosubstituted pyrazines |
Similar Compounds
Find more compounds similar to Pyrazinamide.
Mixtures
- Pyrazinamide + Water
- Pyrazinamide + Methyl Alcohol
- Pyrazinamide + Ethanol
- 1-Propanol + Pyrazinamide
- 2-Propanol + Pyrazinamide
- Pyrazinamide + 1-Butanol
- Pyrazinamide + Acetone
- Acetonitrile + Pyrazinamide
- Pyrazinamide + Ethyl Acetate
- Toluene + Pyrazinamide + Acetone
- Pyrazinamide + Acetone + Cyclohexane
- Toluene + Pyrazinamide + 1,4-Dioxane
- Pyrazinamide + 1,4-Dioxane + Cyclohexane
- Toluene + Pyrazinamide + Methyl Alcohol
- Pyrazinamide + 1-Octanol
Sources
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Ammonium ionic liquids as green solvents for drugs
- Solubility studies on the system of trihexyl(tetradecyl)phosphonium bis[(trifluoromethyl)sulfonyl]amide) ionic liquid and pharmaceutical and bioactive compounds
- Solubilities of pharmaceutical and bioactive compounds in trihexyl(tetradecyl)phosphonium chloride ionic liquid
- Solubility measurements and thermodynamic modeling of pyrazinamide in five different solvent-antisolvent mixtures
- Experimental thermochemical study of three monosubstituted pyrazines
- Solution thermodynamics of pyrazinamide, isoniazid, and p-aminobenzoic acid in buffers and octanol
- Thermodynamic study of solubility for pyrazinamide in ten solvents from T = (283.15 to 323.15) K
- Solubility Data as a Response for a Challenge for Formulation Chemists: Imidazolium-Based Ionic Liquids and Antitubercular Antibiotic Medicines
- Solubility Advantage of Pyrazine-2-carboxamide: Application of Alternative Solvents on the Way to the Future Pharmaceutical Development
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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