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

• ChemBase ID: 619105
• Molecular Formular: C14H19N7O
• Molecular Mass: 301.34696
• Monoisotopic Mass: 301.16510826
• SMILES: n12c(nc(cc1NCc1n(cnn1)CCCOC)C)ccn2
• Canonical SMILES: COCCCn1cnnc1CNc1cc(C)nc2n1ncc2
• InChI: InChI=1S/C14H19N7O/c1-11-8-13(21-12(18-11)4-5-17-21)15-9-14-19-16-10-20(14)6-3-7-22-2/h4-5,8,10,15H,3,6-7,9H2,1-2H3
• InChIKey: GMPVYYVQXIWETL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.6983777
• LogD (pH = 7.4): -0.698212
• Log P: -0.6982099
• Molar Refractivity: 95.7284 cm^3
• Polarizability: 30.67524 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: 0.23
• LOG S: -2.9
• Polar Surface Area: 82.16 Å^2
• Rotatable Bonds: 7