N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

• ChemBase ID: 524935
• Molecular Formular: C15H21N7
• Molecular Mass: 299.37414
• Monoisotopic Mass: 299.18584371
• SMILES: n12c(nc(cc1NCCCn1nc(nc1C)C)CC)ccn2
• Canonical SMILES: CCc1cc(NCCCn2nc(nc2C)C)n2c(n1)ccn2
• InChI: InChI=1S/C15H21N7/c1-4-13-10-15(22-14(19-13)6-8-17-22)16-7-5-9-21-12(3)18-11(2)20-21/h6,8,10,16H,4-5,7,9H2,1-3H3
• InChIKey: JORGMCCERSOGMI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• IUPAC Traditional name: N-[3-(dimethyl-1,2,4-triazol-1-yl)propyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine
• Synonyms: N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-5-ethylpyrazolo[1,5-a]pyrimidin-7-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.4127632
• LogD (pH = 7.4): 1.4137533
• Log P: 1.4137659
• Molar Refractivity: 108.5361 cm^3
• Polarizability: 31.629675 Å^3
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.42
• LOG S: -2.6
• Polar Surface Area: 72.93 Å^2
• Rotatable Bonds: 6