2,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 478516
• Molecular Formular: C14H19N7
• Molecular Mass: 285.34756
• Monoisotopic Mass: 285.17019364
• SMILES: n12c(c(c(n2)C)C)nc(cc1NC(Cn1ncnc1)C)C
• Canonical SMILES: Cc1cc(NC(Cn2ncnc2)C)n2c(n1)c(C)c(n2)C
• InChI: InChI=1S/C14H19N7/c1-9-5-13(17-10(2)6-20-8-15-7-16-20)21-14(18-9)11(3)12(4)19-21/h5,7-8,10,17H,6H2,1-4H3
• InChIKey: LMCIKOBNHFDKLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,3,5-trimethyl-N-[1-(1H-1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: 2,3,5-trimethyl-N-[1-(1,2,4-triazol-1-yl)propan-2-yl]pyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: 2,3,5-trimethyl-N-[1-methyl-2-(1H-1,2,4-triazol-1-yl)ethyl]pyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.9502753
• LogD (pH = 7.4): 0.95083266
• Log P: 0.9508398
• Molar Refractivity: 104.0302 cm^3
• Polarizability: 29.791813 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.32
• LOG S: -2.41
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 4