(1-{[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl}piperidin-2-yl)methanamine

• ChemBase ID: 321662
• Molecular Formular: C13H17N5O
• Molecular Mass: 259.30698
• Monoisotopic Mass: 259.14331019
• SMILES: C(=O)(c1cc2n(cc1)cnn2)N1C(CN)CCCC1
• Canonical SMILES: NCC1CCCCN1C(=O)c1ccn2c(c1)nnc2
• InChI: InChI=1S/C13H17N5O/c14-8-11-3-1-2-5-18(11)13(19)10-4-6-17-9-15-16-12(17)7-10/h4,6-7,9,11H,1-3,5,8,14H2
• InChIKey: NFPRYFNCIHMYCG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-{[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl}piperidin-2-yl)methanamine
• IUPAC Traditional name: (1-{[1,2,4]triazolo[4,3-a]pyridine-7-carbonyl}piperidin-2-yl)methanamine
• Synonyms: 1-[1-([1,2,4]triazolo[4,3-a]pyridin-7-ylcarbonyl)piperidin-2-yl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.734247
• LogD (pH = 7.4): -2.549819
• Log P: -0.7897604
• Molar Refractivity: 74.7864 cm^3
• Polarizability: 27.10562 Å^3
• Polar Surface Area: 76.52 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: -1.08
• LOG S: -1.48
• Polar Surface Area: 76.52 Å^2
• Rotatable Bonds: 2