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

• ChemBase ID: 800502
• Molecular Formular: C9H12N2
• Molecular Mass: 148.20498
• Monoisotopic Mass: 148.10004839
• SMILES: c1(cnc2CNCCc2c1)C
• Canonical SMILES: Cc1cnc2c(c1)CCNC2
• InChI: InChI=1S/C9H12N2/c1-7-4-8-2-3-10-6-9(8)11-5-7/h4-5,10H,2-3,6H2,1H3
• InChIKey: JULXAFBPGNCTFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.6107126
• LogD (pH = 7.4): 0.118260324
• Log P: 0.948704
• Molar Refractivity: 44.9777 cm^3
• Polarizability: 17.444963 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%