4-(1-hydrazinylethyl)-1-methyl-1H-pyrazole trihydrochloride

• ChemBase ID: 247063
• Molecular Formular: C6H15Cl3N4
• Molecular Mass: 249.5691
• Monoisotopic Mass: 248.03622954
• SMILES: c1(cn(nc1)C)C(NN)C.Cl.Cl.Cl
• Canonical SMILES: NNC(c1cnn(c1)C)C.Cl.Cl.Cl
• InChI: InChI=1S/C6H12N4.3ClH/c1-5(9-7)6-3-8-10(2)4-6;;;/h3-5,9H,7H2,1-2H3;3*1H
• InChIKey: ZIOVHXXCBLWPLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(1-hydrazinylethyl)-1-methyl-1H-pyrazole trihydrochloride
• IUPAC Traditional name: 4-(1-hydrazinylethyl)-1-methylpyrazole trihydrochloride
• Synonyms: 4-(1-hydrazinylethyl)-1-methyl-1H-pyrazole trihydrochloride

Database IDs

• PubChem SID: 164302973
• PubChem CID: 71758138

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -0.40864065
• LogD (pH = 7.4): -0.24377091
• Log P: -0.24120608
• Molar Refractivity: 62.8305 cm^3
• Polarizability: 15.427786 Å^3
• Polar Surface Area: 55.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.872

Product Information

• Purity: 95%