1-[(6-hydrazinylpyridazin-3-yl)(methyl)amino]propan-2-ol

• ChemBase ID: 128983
• Molecular Formular: C8H15N5O
• Molecular Mass: 197.2376
• Monoisotopic Mass: 197.12766013
• SMILES: n1nc(NN)ccc1N(C)CC(O)C
• Canonical SMILES: CN(c1ccc(nn1)NN)CC(O)C
• InChI: InChI=1S/C8H15N5O/c1-6(14)5-13(2)8-4-3-7(10-9)11-12-8/h3-4,6,14H,5,9H2,1-2H3,(H,10,11)
• InChIKey: KYIAWOXNPBANEW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-[(6-hydrazinylpyridazin-3-yl)(methyl)amino]propan-2-ol
• IUPAC Traditional name: pildralazine
• Synonyms: ISF-2123; Pildralazine

Database IDs

• CAS Number: 64000-73-3
• PubChem SID: 162223285
• PubChem CID: 68829
• Chemspider ID: 62062
• Unique Ingredient Identifier: FU2BGC781U
• Wikipedia Title: Pildralazine

CALCULATED PROPERTIES

• Acid pKa: 15.271506
• H Acceptors: 6
• H Donor: 3
• LogD (pH = 5.5): -0.7998671
• LogD (pH = 7.4): 0.14505334
• Log P: 0.19087797
• Molar Refractivity: 59.2378 cm^3
• Polarizability: 20.261326 Å^3
• Polar Surface Area: 87.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Pharmacology Properties

• Admin Routes: Oral
• Legal Status: Rx-only