4,6-dicyclopropylpyridine-2-carbohydrazide

• ChemBase ID: 45340
• Molecular Formular: C12H15N3O
• Molecular Mass: 217.267
• Monoisotopic Mass: 217.12151212
• SMILES: n1c(C(=O)NN)cc(C2CC2)cc1C1CC1
• Canonical SMILES: NNC(=O)c1cc(cc(n1)C1CC1)C1CC1
• InChI: InChI=1S/C12H15N3O/c13-15-12(16)11-6-9(7-1-2-7)5-10(14-11)8-3-4-8/h5-8H,1-4,13H2,(H,15,16)
• InChIKey: KWBFOLJZQRMWKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4,6-dicyclopropylpyridine-2-carbohydrazide
• IUPAC Traditional name: 4,6-dicyclopropylpyridine-2-carbohydrazide
• Synonyms: 4,6-Dicyclopropyl-2-pyridinecarbohydrazide

Database IDs

• MDL Number: MFCD13248810
• PubChem SID: 162050103
• PubChem CID: 44236869

CALCULATED PROPERTIES

• Acid pKa: 14.118958
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.3874195
• LogD (pH = 7.4): 1.38803
• Log P: 1.3880379
• Molar Refractivity: 61.4709 cm^3
• Polarizability: 23.133245 Å^3
• Polar Surface Area: 68.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false