5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbohydrazide

• ChemBase ID: 59262
• Molecular Formular: C9H11N5O
• Molecular Mass: 205.21654
• Monoisotopic Mass: 205.09636
• SMILES: c1(nn2c(n1)cc(cc2C)C)C(=O)NN
• Canonical SMILES: Cc1cc(C)cc2n1nc(n2)C(=O)NN
• InChI: InChI=1S/C9H11N5O/c1-5-3-6(2)14-7(4-5)11-8(13-14)9(15)12-10/h3-4H,10H2,1-2H3,(H,12,15)
• InChIKey: HHPBRLMLJWPRHK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbohydrazide
• IUPAC Traditional name: 5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyridine-2-carbohydrazide
• Synonyms: 5,7-Dimethyl[1,2,4]triazolo[1,5-a]pyridine-2-carbohydrazide

Database IDs

• MDL Number: MFCD18064600
• PubChem SID: 162064025
• PubChem CID: 51342201

CALCULATED PROPERTIES

• Acid pKa: 12.5400305
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2508157
• LogD (pH = 7.4): 1.2511843
• Log P: 1.251192
• Molar Refractivity: 68.166 cm^3
• Polarizability: 20.24307 Å^3
• Polar Surface Area: 85.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false