[1,2,4]triazolo[1,5-a]pyridin-2-amine

• ChemBase ID: 285005
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: n1c(nn2c1cccc2)N
• Canonical SMILES: Nc1nc2n(n1)cccc2
• InChI: InChI=1S/C6H6N4/c7-6-8-5-3-1-2-4-10(5)9-6/h1-4H,(H2,7,9)
• InChIKey: PHTMVIAGTMTVSK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11846603
• PubChem SID: 180670536
• PubChem CID: 584054

CALCULATED PROPERTIES

• Acid pKa: 15.363515
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.0133773
• LogD (pH = 7.4): 1.014651
• Log P: 1.0146672
• Molar Refractivity: 49.3981 cm^3
• Polarizability: 13.538176 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 123 - 125°C
• Hydrophobicity(logP): 0.207

Product Information

• Purity: 95%