[6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-3-yl]methanamine

• ChemBase ID: 282553
• Molecular Formular: C9H10N4O
• Molecular Mass: 190.2019
• Monoisotopic Mass: 190.08546096
• SMILES: c1(nnc(o1)C)c1ncc(cc1)CN
• Canonical SMILES: NCc1ccc(nc1)c1nnc(o1)C
• InChI: InChI=1S/C9H10N4O/c1-6-12-13-9(14-6)8-3-2-7(4-10)5-11-8/h2-3,5H,4,10H2,1H3
• InChIKey: JBDSBUKZSNHMFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-3-yl]methanamine
• Synonyms: [6-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-3-yl]methanamine

Database IDs

• MDL Number: MFCD18089658
• PubChem SID: 180668084
• PubChem CID: 50987767

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5203424
• LogD (pH = 7.4): -2.2411387
• Log P: -0.60353315
• Molar Refractivity: 62.4704 cm^3
• Polarizability: 19.961075 Å^3
• Polar Surface Area: 77.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.176

Product Information

• Purity: 95%