[1,2,3,4]tetrazolo[1,5-a]pyridin-7-amine

• ChemBase ID: 71479
• Molecular Formular: C5H5N5
• Molecular Mass: 135.1267
• Monoisotopic Mass: 135.05449519
• SMILES: n1nnc2cc(ccn12)N
• Canonical SMILES: Nc1ccn2c(c1)nnn2
• InChI: InChI=1S/C5H5N5/c6-4-1-2-10-5(3-4)7-8-9-10/h1-3H,6H2
• InChIKey: QHWJGMVBUNNSAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [1,2,3,4]tetrazolo[1,5-a]pyridin-7-amine
• IUPAC Traditional name: [1,2,3,4]tetrazolo[1,5-a]pyridin-7-amine
• Synonyms: Tetrazolo[1,5-a]pyridin-7-amine

Database IDs

• MDL Number: MFCD16618482
• PubChem SID: 162103613
• PubChem CID: 51044853

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.025993476
• LogD (pH = 7.4): -0.025993368
• Log P: -0.025993366
• Molar Refractivity: 48.8512 cm^3
• Polarizability: 12.720971 Å^3
• Polar Surface Area: 69.1 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT