1,5-naphthyridin-4-amine

• ChemBase ID: 293993
• Molecular Formular: C8H7N3
• Molecular Mass: 145.16128
• Monoisotopic Mass: 145.06399724
• SMILES: Nc1ccnc2cccnc12
• Canonical SMILES: Nc1ccnc2c1nccc2
• InChI: InChI=1S/C8H7N3/c9-6-3-5-10-7-2-1-4-11-8(6)7/h1-5H,(H2,9,10)
• InChIKey: KFAJXZVDBVRZRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,5-naphthyridin-4-amine
• IUPAC Traditional name: 1,5-naphthyridin-4-amine
• Synonyms: 1,5-Naphthyridin-4-amine; 4-amino-1,5-naphthyridine

Database IDs

• CAS Number: 27392-68-3
• MDL Number: MFCD00234410
• PubChem SID: 180679524
• PubChem CID: 589354

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.10185443
• LogD (pH = 7.4): 0.46243232
• Log P: 0.4701524
• Molar Refractivity: 42.1508 cm^3
• Polarizability: 17.211 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%