5-methyl-N-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 624654
• Molecular Formular: C15H14N8
• Molecular Mass: 306.32526
• Monoisotopic Mass: 306.13414249
• SMILES: n12c(nc(cc1NCc1n(nnn1)c1ccccc1)C)ccn2
• Canonical SMILES: Cc1cc(NCc2nnnn2c2ccccc2)n2c(n1)ccn2
• InChI: InChI=1S/C15H14N8/c1-11-9-14(23-13(18-11)7-8-17-23)16-10-15-19-20-21-22(15)12-5-3-2-4-6-12/h2-9,16H,10H2,1H3
• InChIKey: UTDNNRFUBLHXBB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.1814264
• LogD (pH = 7.4): 1.1814752
• Log P: 1.1814759
• Molar Refractivity: 98.6867 cm^3
• Polarizability: 32.05576 Å^3
• Polar Surface Area: 85.82 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.01
• LOG S: -3.15
• Polar Surface Area: 85.82 Å^2
• Rotatable Bonds: 4