5-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}pentan-1-amine hydrochloride

• ChemBase ID: 124991
• Molecular Formular: C11H17ClN4
• Molecular Mass: 240.73248
• Monoisotopic Mass: 240.11417424
• SMILES: n12c(nnc1CCCCCN)cccc2.Cl
• Canonical SMILES: NCCCCCc1nnc2n1cccc2.Cl
• InChI: InChI=1S/C11H16N4.ClH/c12-8-4-1-2-6-10-13-14-11-7-3-5-9-15(10)11;/h3,5,7,9H,1-2,4,6,8,12H2;1H
• InChIKey: HUOMSKNYEVQJSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}pentan-1-amine hydrochloride
• IUPAC Traditional name: 5-{[1,2,4]triazolo[4,3-a]pyridin-3-yl}pentan-1-amine hydrochloride
• Synonyms: 5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine hydrochloride

Database IDs

• PubChem SID: 162219344
• PubChem CID: 56723920

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.6124053
• LogD (pH = 7.4): -2.19138
• Log P: 0.4128439
• Molar Refractivity: 62.6094 cm^3
• Polarizability: 23.058992 Å^3
• Polar Surface Area: 56.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl