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

• ChemBase ID: 261434
• Molecular Formular: C7H11N5O
• Molecular Mass: 181.19514
• Monoisotopic Mass: 181.09636
• SMILES: n12c(nnc2)CCC(C1)C(=O)NN
• Canonical SMILES: NNC(=O)C1CCc2n(C1)cnn2
• InChI: InChI=1S/C7H11N5O/c8-10-7(13)5-1-2-6-11-9-4-12(6)3-5/h4-5H,1-3,8H2,(H,10,13)
• InChIKey: IMIAADHERORAMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD14705566
• PubChem SID: 164317344
• PubChem CID: 47002141

CALCULATED PROPERTIES

• Acid pKa: 12.21146
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -1.8147937
• LogD (pH = 7.4): -1.8121697
• Log P: -1.8121297
• Molar Refractivity: 48.4549 cm^3
• Polarizability: 17.449833 Å^3
• Polar Surface Area: 85.83 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.359

Product Information

• Purity: 95%