7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-ol

• ChemBase ID: 262948
• Molecular Formular: C7H7N3O
• Molecular Mass: 149.14998
• Monoisotopic Mass: 149.05891186
• SMILES: n12c(ncn2)cc(cc1O)C
• Canonical SMILES: Cc1cc(O)n2c(c1)ncn2
• InChI: InChI=1S/C7H7N3O/c1-5-2-6-8-4-9-10(6)7(11)3-5/h2-4,11H,1H3
• InChIKey: PBYQGAWCRVNUJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-ol
• IUPAC Traditional name: 7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-ol
• Synonyms: 7-methyl-[1,2,4]triazolo[1,5-a]pyridin-5-ol

Database IDs

• MDL Number: MFCD07329908
• PubChem SID: 164318858
• PubChem CID: 4855592

CALCULATED PROPERTIES

• Acid pKa: 7.4140177
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.4581766
• LogD (pH = 7.4): 1.176059
• Log P: 1.4639542
• Molar Refractivity: 51.0271 cm^3
• Polarizability: 14.792668 Å^3
• Polar Surface Area: 50.42 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 254 - 256°C
• Hydrophobicity(logP): 1.087

Product Information

• Purity: 95%