6-bromo-N-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

• ChemBase ID: 75782
• Molecular Formular: C8H9BrN4
• Molecular Mass: 241.08786
• Monoisotopic Mass: 240.00105831
• SMILES: n12c(nnc1ccc(c2)Br)NCC
• Canonical SMILES: CCNc1nnc2n1cc(Br)cc2
• InChI: InChI=1S/C8H9BrN4/c1-2-10-8-12-11-7-4-3-6(9)5-13(7)8/h3-5H,2H2,1H3,(H,10,12)
• InChIKey: YZEOXYRILIORTM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-bromo-N-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
• IUPAC Traditional name: 6-bromo-N-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine
• Synonyms: 6-Bromo-N-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine; 6-Bromo-3-(ethylamino)[1,2,4]triazolo[4,3-a]pyridine; 6-Bromo-N-ethyl-[1,2,4]triazolo[4,3-a]pyridin-3-amine

Database IDs

• CAS Number: 951884-90-5
• MDL Number: MFCD09801048
• PubChem SID: 162040700
• PubChem CID: 26370186

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.080069
• LogD (pH = 7.4): 1.0816661
• Log P: 1.0816865
• Molar Refractivity: 58.1911 cm^3
• Polarizability: 20.112007 Å^3
• Polar Surface Area: 42.22 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%