4-(1-benzofuran-2-yl)-2-hydrazinylpyrimidine

• ChemBase ID: 309804
• Molecular Formular: C12H10N4O
• Molecular Mass: 226.234
• Monoisotopic Mass: 226.08546096
• SMILES: c1(oc2c(c1)cccc2)c1nc(ncc1)NN
• Canonical SMILES: NNc1nccc(n1)c1cc2c(o1)cccc2
• InChI: InChI=1S/C12H10N4O/c13-16-12-14-6-5-9(15-12)11-7-8-3-1-2-4-10(8)17-11/h1-7H,13H2,(H,14,15,16)
• InChIKey: FIGFSJYUUBCLHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-benzofuran-2-yl)-2-hydrazinylpyrimidine
• IUPAC Traditional name: 4-(1-benzofuran-2-yl)-2-hydrazinylpyrimidine
• Synonyms: 4-(1-benzofuran-2-yl)-2-hydrazinopyrimidine

Database IDs

• MDL Number: MFCD22575201

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.203697
• LogD (pH = 7.4): 2.2319906
• Log P: 2.2323644
• Molar Refractivity: 65.8578 cm^3
• Polarizability: 26.483282 Å^3
• Polar Surface Area: 76.97 Å^2