Metabolite Hydralazine pyruvate hydrazone
- Name
- Hydralazine pyruvate hydrazone
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 230.2227
Monoisotopic: 230.080375584 - Chemical Formula
- C11H10N4O2
- InChI Key
- CXGHHASVNBBLOU-NTUHNPAUSA-N
- InChI
- InChI=1S/C11H10N4O2/c1-7(11(16)17)13-15-10-9-5-3-2-4-8(9)6-12-14-10/h2-6H,1H3,(H,14,15)(H,16,17)/b13-7+
- IUPAC Name
- (2E)-2-[2-(phthalazin-1-yl)hydrazin-1-ylidene]propanoic acid
- SMILES
- C\C(=N/NC1=NN=CC2=CC=CC=C12)C(O)=O
- Reactions
- Hydralazine Hydralazine pyruvate hydrazone and Hydralazine pyruvate hydrazone tricyclic dehydration product
- Hydralazine pyruvate hydrazone Hydralazine pyruvate hydrazone tricyclic dehydration product
- Hydralazine pyruvate hydrazone tricyclic dehydration product Hydralazine pyruvate hydrazone
- Hydralazine Hydralazine pyruvate hydrazone and Hydralazine pyruvate hydrazone tricyclic dehydration product
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 159.9502924 predictedDarkChem Lite v0.1.0 [M-H]- 152.46687 predictedDeepCCS 1.0 (2019) [M+H]+ 160.8410924 predictedDarkChem Lite v0.1.0 [M+H]+ 154.8249 predictedDeepCCS 1.0 (2019) [M+Na]+ 160.2343924 predictedDarkChem Lite v0.1.0 [M+Na]+ 160.91817 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0061143
- ChemSpider
- 7851233
- ZINC
- ZINC000038810990
- Predicted Properties
Property Value Source Water Solubility 0.11 mg/mL ALOGPS logP 1.09 ALOGPS logP 1.45 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 3.63 Chemaxon pKa (Strongest Basic) 1.73 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 87.47 Å2 Chemaxon Rotatable Bond Count 3 Chemaxon Refractivity 64.2 m3·mol-1 Chemaxon Polarizability 22.74 Å3 Chemaxon Number of Rings 2 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon