[1,2,3,4]tetrazolo[1,5-a]pyridin-8-amine

• ChemBase ID: 57246
• Molecular Formular: C5H5N5
• Molecular Mass: 135.1267
• Monoisotopic Mass: 135.05449519
• SMILES: c12n(nnn1)cccc2N
• Canonical SMILES: Nc1cccn2c1nnn2
• InChI: InChI=1S/C5H5N5/c6-4-2-1-3-10-5(4)7-8-9-10/h1-3H,6H2
• InChIKey: NZHYYAOTWXQBJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,3,4]tetrazolo[1,5-a]pyridin-8-amine
• IUPAC Traditional name: [1,2,3,4]tetrazolo[1,5-a]pyridin-8-amine
• Synonyms: Tetrazolo[1,5-a]pyridin-8-amine

Database IDs

• CAS Number: 73721-28-5
• MDL Number: MFCD12198088
• PubChem SID: 162062009
• PubChem CID: 243016

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.025993498
• LogD (pH = 7.4): -0.025993368
• Log P: -0.025993366
• Molar Refractivity: 48.8512 cm^3
• Polarizability: 12.72269 Å^3
• Polar Surface Area: 69.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false