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

• ChemBase ID: 236243
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: c12nc(nn1CCCC2N)CC
• Canonical SMILES: CCc1nn2c(n1)C(N)CCC2
• InChI: InChI=1S/C8H14N4/c1-2-7-10-8-6(9)4-3-5-12(8)11-7/h6H,2-5,9H2,1H3
• InChIKey: YURCFQNMXAHZRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD22369811
• PubChem SID: 164292153
• PubChem CID: 71695325

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.94276
• LogD (pH = 7.4): -0.22658405
• Log P: 0.6824213
• Molar Refractivity: 58.4735 cm^3
• Polarizability: 17.9419 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.519

Product Information

• Purity: 95%