[1,2,3]triazolo[1,5-a]quinoline

• ChemBase ID: 92002
• Molecular Formular: C10H7N3
• Molecular Mass: 169.18268
• Monoisotopic Mass: 169.06399724
• SMILES: n12c3ccccc3ccc1cnn2
• Canonical SMILES: c1ccc2c(c1)n1nncc1cc2
• InChI: InChI=1S/C10H7N3/c1-2-4-10-8(3-1)5-6-9-7-11-12-13(9)10/h1-7H
• InChIKey: OCSVDRXXLBXUJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,3]triazolo[1,5-a]quinoline
• IUPAC Traditional name: [1,2,3]triazolo[1,5-a]quinoline
• Synonyms: [1,2,3]Triazolo[1,5-a]quinoline

Database IDs

• CAS Number: 235-21-2
• MDL Number: MFCD08448201
• PubChem SID: 162078700
• PubChem CID: 13356054

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.1411812
• LogD (pH = 7.4): 2.141185
• Log P: 2.141185
• Molar Refractivity: 60.6626 cm^3
• Polarizability: 20.649765 Å^3
• Polar Surface Area: 30.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true