2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine

• ChemBase ID: 237905
• Molecular Formular: C8H14N4O
• Molecular Mass: 182.22296
• Monoisotopic Mass: 182.11676109
• SMILES: c12nc(nn1CCCC2N)COC
• Canonical SMILES: COCc1nn2c(n1)C(N)CCC2
• InChI: InChI=1S/C8H14N4O/c1-13-5-7-10-8-6(9)3-2-4-12(8)11-7/h6H,2-5,9H2,1H3
• InChIKey: PSIAIVOVWIDFHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
• IUPAC Traditional name: 2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine
• Synonyms: 2-(methoxymethyl)-5H,6H,7H,8H-[1,2,4]triazolo[1,5-a]pyridin-8-amine

Database IDs

• MDL Number: MFCD22375300
• PubChem SID: 164293815
• PubChem CID: 71756040

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.8089075
• LogD (pH = 7.4): -1.090617
• Log P: -0.19611843
• Molar Refractivity: 60.3 cm^3
• Polarizability: 18.734861 Å^3
• Polar Surface Area: 65.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.519

Product Information

• Purity: 95%