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

• ChemBase ID: 261391
• Molecular Formular: C8H13N5O
• Molecular Mass: 195.22172
• Monoisotopic Mass: 195.11201006
• SMILES: n12c(nnc1C)CCC(C2)C(=O)NN
• Canonical SMILES: NNC(=O)C1CCc2n(C1)c(C)nn2
• InChI: InChI=1S/C8H13N5O/c1-5-11-12-7-3-2-6(4-13(5)7)8(14)10-9/h6H,2-4,9H2,1H3,(H,10,14)
• InChIKey: NSVWLUNPKMVWSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705563
• PubChem SID: 164317301
• PubChem CID: 47002138

CALCULATED PROPERTIES

• Acid pKa: 12.360477
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.6922653
• LogD (pH = 7.4): -1.6891098
• Log P: -1.6890651
• Molar Refractivity: 52.8956 cm^3
• Polarizability: 19.201654 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.09

Product Information

• Purity: 95%