6-[2-(propan-2-yl)-1H-imidazol-1-yl]pyridin-3-amine hydrochloride

• ChemBase ID: 120909
• Molecular Formular: C11H15ClN4
• Molecular Mass: 238.7166
• Monoisotopic Mass: 238.09852418
• SMILES: n1(c(ncc1)C(C)C)c1ncc(N)cc1.Cl
• Canonical SMILES: Nc1ccc(nc1)n1ccnc1C(C)C.Cl
• InChI: InChI=1S/C11H14N4.ClH/c1-8(2)11-13-5-6-15(11)10-4-3-9(12)7-14-10;/h3-8H,12H2,1-2H3;1H
• InChIKey: PTLJKTAYPDDLOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[2-(propan-2-yl)-1H-imidazol-1-yl]pyridin-3-amine hydrochloride
• IUPAC Traditional name: 6-(2-isopropylimidazol-1-yl)pyridin-3-amine hydrochloride
• Synonyms: 6-(2-isopropyl-1H-imidazol-1-yl)pyridin-3-amine hydrochloride

Database IDs

• PubChem SID: 162215262
• PubChem CID: 56762243

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): 0.38516608
• LogD (pH = 7.4): 1.273526
• Log P: 1.3378
• Molar Refractivity: 70.5055 cm^3
• Polarizability: 22.424868 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 3

PROPERTIES

Product Information

• Salt Data: HCl