Metabolite Unnamed hydralazine metabolite
- Name
- Unnamed hydralazine metabolite
- Description
- Not Available
- Structure
- Synonyms
- Not Available
- UNII
- 4HU62U55WN
- CAS number
- Not Available
- Weight
- Average: 202.217
Monoisotopic: 202.085460958 - Chemical Formula
- C10H10N4O
- InChI Key
- YQUVBMKWVZWZED-UHFFFAOYSA-N
- InChI
- InChI=1S/C10H10N4O/c1-7(15)12-14-10-9-5-3-2-4-8(9)6-11-13-10/h2-6H,1H3,(H,12,15)(H,13,14)
- IUPAC Name
- N'-(phthalazin-1-yl)acetohydrazide
- SMILES
- CC(=O)NNC1=NN=CC2=CC=CC=C12
- Reactions
- Hydralazine Unnamed hydralazine metabolite
- Unnamed hydralazine metabolite 3-methyl-s-triazolophthalazine
- 3-methyl-s-triazolophthalazine 9-hydroxy-methyltriazolophthalazine
- 3-methyl-s-triazolophthalazine 3-hydroxy-methyltriazolophthalazine
- 3-hydroxy-methyltriazolophthalazine Triazolophthalazine
- Unnamed hydralazine metabolite 3-methyl-s-triazolophthalazine
- Hydralazine Unnamed hydralazine metabolite
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 147.0861051 predictedDarkChem Lite v0.1.0 [M-H]- 135.64626 predictedDeepCCS 1.0 (2019) [M+H]+ 147.6798051 predictedDarkChem Lite v0.1.0 [M+H]+ 138.40843 predictedDeepCCS 1.0 (2019) [M+Na]+ 147.3600051 predictedDarkChem Lite v0.1.0 [M+Na]+ 147.35896 predictedDeepCCS 1.0 (2019) - External Links
- ChemSpider
- 29221
- Predicted Properties
Property Value Source Water Solubility 0.0926 mg/mL ALOGPS logP 0.75 ALOGPS logP 0.46 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 12.55 Chemaxon pKa (Strongest Basic) 3.61 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.91 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 58.62 m3·mol-1 Chemaxon Polarizability 20.43 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