[5-(pyridazin-4-yl)pyridin-3-yl]methanamine

• ChemBase ID: 796535
• Molecular Formular: C10H10N4
• Molecular Mass: 186.2132
• Monoisotopic Mass: 186.09054634
• SMILES: C(N)c1cncc(c1)c1cnncc1
• Canonical SMILES: NCc1cncc(c1)c1ccnnc1
• InChI: InChI=1S/C10H10N4/c11-4-8-3-10(6-12-5-8)9-1-2-13-14-7-9/h1-3,5-7H,4,11H2
• InChIKey: HYSYHHUCAHVUDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [5-(pyridazin-4-yl)pyridin-3-yl]methanamine
• IUPAC Traditional name: [5-(pyridazin-4-yl)pyridin-3-yl]methanamine
• Synonyms: (5-(Pyridazin-4-yl)pyridin-3-yl)MethanaMine

Database IDs

• CAS Number: 1346687-51-1

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5986905
• LogD (pH = 7.4): -2.3577425
• Log P: -0.6688752
• Molar Refractivity: 55.2171 cm^3
• Polarizability: 21.993633 Å^3
• Polar Surface Area: 64.69 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%