[1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde

• ChemBase ID: 286916
• Molecular Formular: C7H5N3O
• Molecular Mass: 147.1341
• Monoisotopic Mass: 147.0432618
• SMILES: O=Cc1cn2c(cc1)ncn2
• Canonical SMILES: O=Cc1ccc2n(c1)ncn2
• InChI: InChI=1S/C7H5N3O/c11-4-6-1-2-7-8-5-9-10(7)3-6/h1-5H
• InChIKey: SYLGZKAGHAOGFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
• IUPAC Traditional name: [1,2,4]triazolo[1,5-a]pyridine-6-carbaldehyde
• Synonyms: [1,2,4]Triazolo[1,5-a]pyridine-6-carbaldehyde

Database IDs

• CAS Number: 614750-81-1
• MDL Number: MFCD11112116
• PubChem SID: 180672447
• PubChem CID: 45083592

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.87697315
• LogD (pH = 7.4): 0.8773052
• Log P: 0.87730944
• Molar Refractivity: 51.3357 cm^3
• Polarizability: 14.319398 Å^3
• Polar Surface Area: 47.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%