N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 757829
• Molecular Formular: C14H19N7O
• Molecular Mass: 301.34696
• Monoisotopic Mass: 301.16510826
• SMILES: n12c(nc(cc1NCCc1n(cnn1)CCOC)C)ccn2
• Canonical SMILES: COCCn1cnnc1CCNc1cc(C)nc2n1ncc2
• InChI: InChI=1S/C14H19N7O/c1-11-9-14(21-12(18-11)4-6-17-21)15-5-3-13-19-16-10-20(13)7-8-22-2/h4,6,9-10,15H,3,5,7-8H2,1-2H3
• InChIKey: UAUHHNIKUNVYFM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-{2-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-{2-[4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]ethyl}-5-methylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.5219469
• LogD (pH = 7.4): -0.52116686
• Log P: -0.5211569
• Molar Refractivity: 95.5624 cm^3
• Polarizability: 30.601751 Å^3
• Polar Surface Area: 82.16 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.31
• LOG S: -2.97
• Polar Surface Area: 82.16 Å^2
• Rotatable Bonds: 7