3-(5-hydrazinyl-1,2,4-oxadiazol-3-yl)pyridine

• ChemBase ID: 267917
• Molecular Formular: C7H7N5O
• Molecular Mass: 177.16338
• Monoisotopic Mass: 177.06505987
• SMILES: n1c(noc1NN)c1cnccc1
• Canonical SMILES: NNc1onc(n1)c1cccnc1
• InChI: InChI=1S/C7H7N5O/c8-11-7-10-6(12-13-7)5-2-1-3-9-4-5/h1-4H,8H2,(H,10,11,12)
• InChIKey: OGEXCNFKRLCBJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(5-hydrazinyl-1,2,4-oxadiazol-3-yl)pyridine
• IUPAC Traditional name: 3-(5-hydrazinyl-1,2,4-oxadiazol-3-yl)pyridine
• Synonyms: 3-(5-hydrazinyl-1,2,4-oxadiazol-3-yl)pyridine

Database IDs

• MDL Number: MFCD16547675
• PubChem SID: 164323827
• PubChem CID: 47003158

CALCULATED PROPERTIES

• Acid pKa: -2.3510857
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.97220165
• LogD (pH = 7.4): -0.9662133
• Log P: 0.94174695
• Molar Refractivity: 59.1083 cm^3
• Polarizability: 17.41296 Å^3
• Polar Surface Area: 89.86 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): 0.623

Product Information

• Purity: 95%