5-propyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 850286
• Molecular Formular: C14H19N7
• Molecular Mass: 285.34756
• Monoisotopic Mass: 285.17019364
• SMILES: n12c(nc(cc1NCCCn1nncc1)CCC)ccn2
• Canonical SMILES: CCCc1cc(NCCCn2nncc2)n2c(n1)ccn2
• InChI: InChI=1S/C14H19N7/c1-2-4-12-11-14(21-13(18-12)5-7-17-21)15-6-3-9-20-10-8-16-19-20/h5,7-8,10-11,15H,2-4,6,9H2,1H3
• InChIKey: PUNHOMAXMZYNJU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-propyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 5-propyl-N-[3-(1,2,3-triazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 5-propyl-N-[3-(1H-1,2,3-triazol-1-yl)propyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4001247
• LogD (pH = 7.4): 1.4001806
• Log P: 1.4001813
• Molar Refractivity: 103.2549 cm^3
• Polarizability: 29.95301 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.92
• LOG S: -2.92
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 7