N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 553248
• Molecular Formular: C16H15N5O
• Molecular Mass: 293.3232
• Monoisotopic Mass: 293.12766013
• SMILES: c1(nc2n(n1)cccn2)C(=O)NC1Cc2c(CC1)cccc2
• Canonical SMILES: O=C(c1nn2c(n1)nccc2)NC1CCc2c(C1)cccc2
• InChI: InChI=1S/C16H15N5O/c22-15(14-19-16-17-8-3-9-21(16)20-14)18-13-7-6-11-4-1-2-5-12(11)10-13/h1-5,8-9,13H,6-7,10H2,(H,18,22)
• InChIKey: ARIJNEXGHKDNOR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-(1,2,3,4-tetrahydronaphthalen-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-(1,2,3,4-tetrahydronaphthalen-2-yl)[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.900192
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.614656
• LogD (pH = 7.4): 2.6146548
• Log P: 2.614656
• Molar Refractivity: 94.1893 cm^3
• Polarizability: 30.602598 Å^3
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.83
• LOG S: -2.9
• Polar Surface Area: 72.18 Å^2
• Rotatable Bonds: 2