5-(methoxymethyl)-N-(1H-1,2,3,4-tetrazol-5-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 844363
• Molecular Formular: C10H12N8O
• Molecular Mass: 260.25528
• Monoisotopic Mass: 260.11340704
• SMILES: n12c(nc(cc1NCc1nnn[nH]1)COC)ccn2
• Canonical SMILES: COCc1cc(NCc2nnn[nH]2)n2c(n1)ccn2
• InChI: InChI=1S/C10H12N8O/c1-19-6-7-4-10(11-5-8-14-16-17-15-8)18-9(13-7)2-3-12-18/h2-4,11H,5-6H2,1H3,(H,14,15,16,17)
• InChIKey: KHBOOZSVEAVJPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 4.114593
• H Acceptors: 7
• H Donor: 2
• LogD (pH = 5.5): -1.9748583
• LogD (pH = 7.4): -2.377141
• Log P: -0.77428025
• Molar Refractivity: 80.4658 cm^3
• Polarizability: 24.51191 Å^3
• Polar Surface Area: 105.91 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: -1.02
• LOG S: -1.54
• Polar Surface Area: 105.91 Å^2
• Rotatable Bonds: 5