Metabolite Hydralazine pyruvate hydrazone tricyclic dehydration product
- Name
- Hydralazine pyruvate hydrazone tricyclic dehydration product
- Description
- Not Available
- Structure
Structure for Hydralazine pyruvate hydrazone tricyclic dehydration product
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 212.212
Monoisotopic: 212.069810894 - Chemical Formula
- C11H8N4O
- InChI Key
- RYLKWNGAFNMGHT-UHFFFAOYSA-N
- InChI
- InChI=1S/C11H8N4O/c1-7-11(16)15-10(14-13-7)9-5-3-2-4-8(9)6-12-15/h2-6H,1H3
- IUPAC Name
- 3-methyl-4H-[1,2,4]triazino[3,4-a]phthalazin-4-one
- SMILES
- CC1=NN=C2N(N=CC3=CC=CC=C23)C1=O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 142.30405 predictedDeepCCS 1.0 (2019) [M+H]+ 144.66592 predictedDeepCCS 1.0 (2019) [M+Na]+ 151.29457 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 10542592
- Predicted Properties
Property Value Source Water Solubility 0.131 mg/mL ALOGPS logP 1.29 ALOGPS logP 1.1 Chemaxon logS -3.2 ALOGPS pKa (Strongest Basic) -4.1 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 0 Chemaxon Polar Surface Area 57.39 Å2 Chemaxon Rotatable Bond Count 0 Chemaxon Refractivity 59.6 m3·mol-1 Chemaxon Polarizability 21.01 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon