N-[(5-methylpyrazin-2-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide

• ChemBase ID: 793242
• Molecular Formular: C12H11N7O
• Molecular Mass: 269.26204
• Monoisotopic Mass: 269.10250801
• SMILES: c12n(nnn1)ccc(c2)C(=O)NCc1ncc(nc1)C
• Canonical SMILES: Cc1cnc(cn1)CNC(=O)c1ccn2c(c1)nnn2
• InChI: InChI=1S/C12H11N7O/c1-8-5-14-10(6-13-8)7-15-12(20)9-2-3-19-11(4-9)16-17-18-19/h2-6H,7H2,1H3,(H,15,20)
• InChIKey: CXVMJQHWQFWTQH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-methylpyrazin-2-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• IUPAC Traditional name: N-[(5-methylpyrazin-2-yl)methyl]-[1,2,3,4]tetrazolo[1,5-a]pyridine-7-carboxamide
• Synonyms: N-[(5-methylpyrazin-2-yl)methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.258713
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): -0.62079597
• LogD (pH = 7.4): -0.6207815
• Log P: -0.6207807
• Molar Refractivity: 82.494 cm^3
• Polarizability: 25.857079 Å^3
• Polar Surface Area: 97.96 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: -0.99
• LOG S: -1.63
• Polar Surface Area: 97.96 Å^2
• Rotatable Bonds: 3