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

• ChemBase ID: 261392
• Molecular Formular: C10H15N5O
• Molecular Mass: 221.259
• Monoisotopic Mass: 221.12766013
• SMILES: n12c(nnc1CCC(C2)C(=O)NN)C1CC1
• Canonical SMILES: NNC(=O)C1CCc2n(C1)c(nn2)C1CC1
• InChI: InChI=1S/C10H15N5O/c11-12-10(16)7-3-4-8-13-14-9(6-1-2-6)15(8)5-7/h6-7H,1-5,11H2,(H,12,16)
• InChIKey: OTKJRTWIKJFAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705564
• PubChem SID: 164317302
• PubChem CID: 47002139

CALCULATED PROPERTIES

• Acid pKa: 12.393962
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.9121908
• LogD (pH = 7.4): -0.9093098
• Log P: -0.9092688
• Molar Refractivity: 60.2948 cm^3
• Polarizability: 22.144938 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.646

Product Information

• Purity: 95%