6-methyl-5-(4-methyl-1H-pyrazol-1-yl)pyridin-2-amine

• ChemBase ID: 598091
• Molecular Formular: C10H12N4
• Molecular Mass: 188.22908
• Monoisotopic Mass: 188.1061964
• SMILES: n1(ncc(c1)C)c1c(nc(cc1)N)C
• Canonical SMILES: Cc1cnn(c1)c1ccc(nc1C)N
• InChI: InChI=1S/C10H12N4/c1-7-5-12-14(6-7)9-3-4-10(11)13-8(9)2/h3-6H,1-2H3,(H2,11,13)
• InChIKey: AXIYHWFRDFAMKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-methyl-5-(4-methyl-1H-pyrazol-1-yl)pyridin-2-amine
• IUPAC Traditional name: 6-methyl-5-(4-methylpyrazol-1-yl)pyridin-2-amine
• Synonyms: 6-methyl-5-(4-methyl-1H-pyrazol-1-yl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.20742972
• LogD (pH = 7.4): 1.0743227
• Log P: 1.2517151
• Molar Refractivity: 56.9094 cm^3
• Polarizability: 21.173937 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 2.01
• LOG S: -2.29
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1