methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine

• ChemBase ID: 271322
• Molecular Formular: C10H16N4
• Molecular Mass: 192.26084
• Monoisotopic Mass: 192.13749653
• SMILES: N1(c2nnccc2)C(CNC)CCC1
• Canonical SMILES: CNCC1CCCN1c1cccnn1
• InChI: InChI=1S/C10H16N4/c1-11-8-9-4-3-7-14(9)10-5-2-6-12-13-10/h2,5-6,9,11H,3-4,7-8H2,1H3
• InChIKey: YUORAWUIGVUNLY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine
• IUPAC Traditional name: methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine
• Synonyms: methyl({[1-(pyridazin-3-yl)pyrrolidin-2-yl]methyl})amine

Database IDs

• MDL Number: MFCD16806578
• PubChem SID: 164327232
• PubChem CID: 54592586

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.6137311
• LogD (pH = 7.4): -1.6268344
• Log P: 0.5794659
• Molar Refractivity: 58.4421 cm^3
• Polarizability: 21.527493 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.17

Product Information

• Purity: 95%