5-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride

• ChemBase ID: 121173
• Molecular Formular: C7H14Cl2N4
• Molecular Mass: 225.11886
• Monoisotopic Mass: 224.05955183
• SMILES: c12c([nH]nc1CCN(C2)C)N.Cl.Cl
• Canonical SMILES: CN1CCc2c(C1)c(N)[nH]n2.Cl.Cl
• InChI: InChI=1S/C7H12N4.2ClH/c1-11-3-2-6-5(4-11)7(8)10-9-6;;/h2-4H2,1H3,(H3,8,9,10);2*1H
• InChIKey: HKYNJBKZMXHOOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-2H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride
• IUPAC Traditional name: 5-methyl-2H,4H,6H,7H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride
• Synonyms: 5-methyl-4,5,6,7-tetrahydro-2H-pyrazolo[4,3-c]pyridin-3-amine dihydrochloride

Database IDs

• PubChem SID: 162215526
• PubChem CID: 71308067

CALCULATED PROPERTIES

• Acid pKa: 14.263117
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.4488106
• LogD (pH = 7.4): -0.80813015
• Log P: -0.45109645
• Molar Refractivity: 44.9736 cm^3
• Polarizability: 16.353502 Å^3
• Polar Surface Area: 57.94 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl