N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

• ChemBase ID: 687135
• Molecular Formular: C14H15N7O
• Molecular Mass: 297.3152
• Monoisotopic Mass: 297.13380814
• SMILES: c1(nc2n(n1)cccn2)C(=O)N(Cc1n(ccn1)C)C1CC1
• Canonical SMILES: O=C(N(C1CC1)Cc1nccn1C)c1nc2n(n1)cccn2
• InChI: InChI=1S/C14H15N7O/c1-19-8-6-15-11(19)9-20(10-3-4-10)13(22)12-17-14-16-5-2-7-21(14)18-12/h2,5-8,10H,3-4,9H2,1H3
• InChIKey: LDLCPNHPHVOWAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• IUPAC Traditional name: N-cyclopropyl-N-[(1-methylimidazol-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
• Synonyms: N-cyclopropyl-N-[(1-methyl-1H-imidazol-2-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.17399764
• LogD (pH = 7.4): 0.72692895
• Log P: 0.7449367
• Molar Refractivity: 91.1399 cm^3
• Polarizability: 29.240425 Å^3
• Polar Surface Area: 81.21 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.87
• LOG S: -1.94
• Polar Surface Area: 81.21 Å^2
• Rotatable Bonds: 4