dimethyl[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)propyl]amine

• ChemBase ID: 735187
• Molecular Formular: C14H22N6
• Molecular Mass: 274.36468
• Monoisotopic Mass: 274.19059473
• SMILES: c1(nn2c(c1)CNCC2)c1n(ccn1)CCCN(C)C
• Canonical SMILES: CN(CCCn1ccnc1c1nn2c(c1)CNCC2)C
• InChI: InChI=1S/C14H22N6/c1-18(2)6-3-7-19-8-5-16-14(19)13-10-12-11-15-4-9-20(12)17-13/h5,8,10,15H,3-4,6-7,9,11H2,1-2H3
• InChIKey: MAGHLAGCPQOORR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1H-imidazol-1-yl)propyl]amine
• IUPAC Traditional name: dimethyl[3-(2-{4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}imidazol-1-yl)propyl]amine
• Synonyms: N,N-dimethyl-3-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]-1-propanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -5.495379
• LogD (pH = 7.4): -2.5068934
• Log P: 0.30236176
• Molar Refractivity: 101.5835 cm^3
• Polarizability: 31.120962 Å^3
• Polar Surface Area: 50.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: -1.24
• LOG S: -0.44
• Polar Surface Area: 50.91 Å^2
• Rotatable Bonds: 5