[1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

• ChemBase ID: 248171
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: n12c(ncn2)cccc1C=O
• Canonical SMILES: O=Cc1cccc2n1ncn2
• InChI: InChI=1S/C7H5N3O/c11-4-6-2-1-3-7-8-5-9-10(6)7/h1-5H
• InChIKey: DTAPWKGEDZQFBL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
• IUPAC Traditional name: [1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde
• Synonyms: [1,2,4]triazolo[1,5-a]pyridine-5-carbaldehyde

Database IDs

• MDL Number: MFCD10699194
• PubChem SID: 164304081
• PubChem CID: 10374584

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.79677916
• LogD (pH = 7.4): 0.7973039
• Log P: 0.7973106
• Molar Refractivity: 51.2132 cm^3
• Polarizability: 14.32371 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.112

Product Information

• Purity: 95%