3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carbohydrazide

• ChemBase ID: 261393
• Molecular Formular: C9H15N5O
• Molecular Mass: 209.2483
• Monoisotopic Mass: 209.12766013
• SMILES: n12c(nnc1CC)CCC(C2)C(=O)NN
• Canonical SMILES: NNC(=O)C1CCc2n(C1)c(CC)nn2
• InChI: InChI=1S/C9H15N5O/c1-2-7-12-13-8-4-3-6(5-14(7)8)9(15)11-10/h6H,2-5,10H2,1H3,(H,11,15)
• InChIKey: YVKIVCXVOQIILC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carbohydrazide
• IUPAC Traditional name: 3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyridine-6-carbohydrazide
• Synonyms: 3-ethyl-5H,6H,7H,8H-[1,2,4]triazolo[3,4-a]pyridine-6-carbohydrazide

Database IDs

• MDL Number: MFCD14705565
• PubChem SID: 164317303
• PubChem CID: 47002140

CALCULATED PROPERTIES

• Acid pKa: 12.456979
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9915964
• LogD (pH = 7.4): -0.98857147
• Log P: -0.9885292
• Molar Refractivity: 57.5225 cm^3
• Polarizability: 21.029167 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.561

Product Information

• Purity: 95%