[1,2,4]triazolo[1,5-a]pyridin-8-amine

• ChemBase ID: 40982
• Molecular Formular: C6H6N4
• Molecular Mass: 134.13864
• Monoisotopic Mass: 134.05924621
• SMILES: c12n(ncn1)cccc2N
• Canonical SMILES: Nc1cccn2c1ncn2
• InChI: InChI=1S/C6H6N4/c7-5-2-1-3-10-6(5)8-4-9-10/h1-4H,7H2
• InChIKey: LJPJXPHHXBKTKJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,4]triazolo[1,5-a]pyridin-8-amine
• IUPAC Traditional name: [1,2,4]triazolo[1,5-a]pyridin-8-amine
• Synonyms: [1,2,4]Triazolo[1,5-a]pyridin-8-amine

Database IDs

• CAS Number: 31052-95-6
• MDL Number: MFCD01316370
• PubChem SID: 162045745
• PubChem CID: 272201

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.33390453
• LogD (pH = 7.4): 0.33585623
• Log P: 0.33588117
• Molar Refractivity: 49.4521 cm^3
• Polarizability: 13.544388 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 103 - 106 °C; 103-106°C

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%