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

• ChemBase ID: 237616
• Molecular Formular: C8H14N4O
• Molecular Mass: 182.22296
• Monoisotopic Mass: 182.11676109
• SMILES: n12nc(nc1CCC(C2)N)COC
• Canonical SMILES: COCc1nn2c(n1)CCC(C2)N
• InChI: InChI=1S/C8H14N4O/c1-13-5-7-10-8-3-2-6(9)4-12(8)11-7/h6H,2-5,9H2,1H3
• InChIKey: YSSJLUSRTMOENN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369980
• PubChem SID: 164293526
• PubChem CID: 71755965

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -3.5785472
• LogD (pH = 7.4): -2.8095143
• Log P: -0.39363894
• Molar Refractivity: 60.1693 cm^3
• Polarizability: 18.660543 Å^3
• Polar Surface Area: 65.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.346

Product Information

• Purity: 95%