5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine hydrochloride

• ChemBase ID: 55351
• Molecular Formular: C6H10ClN3
• Molecular Mass: 159.6167
• Monoisotopic Mass: 159.05632502
• SMILES: C1CCc2n(C1)cnn2.Cl
• Canonical SMILES: C1CCc2n(C1)cnn2.Cl
• InChI: InChI=1S/C6H9N3.ClH/c1-2-4-9-5-7-8-6(9)3-1;/h5H,1-4H2;1H
• InChIKey: XQFOXBFHDSCLPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine hydrochloride
• IUPAC Traditional name: 5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine hydrochloride
• Synonyms: 5,6,7,8-Tetrahydro[1,2,4]triazolo[4,3-a]pyridine hydrochloride

Database IDs

• CAS Number: 59624-08-7
• MDL Number: MFCD16039358
• PubChem SID: 162060114
• PubChem CID: 50998525

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.08829451
• LogD (pH = 7.4): -0.08737518
• Log P: -0.087363444
• Molar Refractivity: 36.0627 cm^3
• Polarizability: 12.75326 Å^3
• Polar Surface Area: 30.71 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false