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

• ChemBase ID: 271382
• Molecular Formular: C8H14N4
• Molecular Mass: 166.22356
• Monoisotopic Mass: 166.12184647
• SMILES: n12nc(nc1CCC(C2)N)CC
• Canonical SMILES: CCc1nn2c(n1)CCC(C2)N
• InChI: InChI=1S/C8H14N4/c1-2-7-10-8-4-3-6(9)5-12(8)11-7/h6H,2-5,9H2,1H3
• InChIKey: PJYAFOPPECXXAT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD18917240
• PubChem SID: 164327292
• PubChem CID: 54592621

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.7004507
• LogD (pH = 7.4): -1.9309804
• Log P: 0.4849008
• Molar Refractivity: 58.3428 cm^3
• Polarizability: 17.865988 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.346

Product Information

• Purity: 95%