3-(piperazin-1-yl)-6-(pyrrolidin-1-yl)pyridazine

• ChemBase ID: 297635
• Molecular Formular: C12H19N5
• Molecular Mass: 233.31276
• Monoisotopic Mass: 233.16404563
• SMILES: c1cc(nnc1N1CCCC1)N1CCNCC1
• Canonical SMILES: N1CCN(CC1)c1ccc(nn1)N1CCCC1
• InChI: InChI=1S/C12H19N5/c1-2-8-16(7-1)11-3-4-12(15-14-11)17-9-5-13-6-10-17/h3-4,13H,1-2,5-10H2
• InChIKey: XLVYLSPWXIQYHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(piperazin-1-yl)-6-(pyrrolidin-1-yl)pyridazine
• IUPAC Traditional name: 3-(piperazin-1-yl)-6-(pyrrolidin-1-yl)pyridazine
• Synonyms: 3-(1-Piperazino)-6-(1-pyrrolidino)pyridazine; 3-(1-Piperazinyl)-6-(1-pyrrolidinyl)pyridazine; 3-哌嗪-6-吡咯烷基-哒嗪

Database IDs

• MDL Number: MFCD08061019
• PubChem SID: 180683166
• PubChem CID: 24208832

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -1.953507
• LogD (pH = 7.4): -0.3490976
• Log P: 1.0506753
• Molar Refractivity: 71.545 cm^3
• Polarizability: 25.622438 Å^3
• Polar Surface Area: 44.29 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 99%