3-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine

• ChemBase ID: 804685
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1(cnc2CCNCc2c1)C
• Canonical SMILES: Cc1cc2CNCCc2nc1
• InChI: InChI=1S/C9H12N2/c1-7-4-8-6-10-3-2-9(8)11-5-7/h4-5,10H,2-3,6H2,1H3
• InChIKey: LFTZMPMTTQWRLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
• IUPAC Traditional name: 3-methyl-5,6,7,8-tetrahydro-1,6-naphthyridine
• Synonyms: 3-METHYL-5,6,7,8-TETRAHYDRO-1,6-NAPHTHYRIDINE

Database IDs

• CAS Number: 624734-27-6

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.1096013
• LogD (pH = 7.4): -0.57748014
• Log P: 0.8970555
• Molar Refractivity: 44.9221 cm^3
• Polarizability: 17.444336 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%