1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine

• ChemBase ID: 240393
• Molecular Formular: C8H9N5
• Molecular Mass: 175.19056
• Monoisotopic Mass: 175.08579531
• SMILES: n1(c(ccn1)N)c1nnc(cc1)C
• Canonical SMILES: Cc1ccc(nn1)n1nccc1N
• InChI: InChI=1S/C8H9N5/c1-6-2-3-8(12-11-6)13-7(9)4-5-10-13/h2-5H,9H2,1H3
• InChIKey: WNWOBXDGYYGREA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine
• IUPAC Traditional name: 2-(6-methylpyridazin-3-yl)pyrazol-3-amine
• Synonyms: 1-(6-methylpyridazin-3-yl)-1H-pyrazol-5-amine

Database IDs

• MDL Number: MFCD16156352
• PubChem SID: 164296303
• PubChem CID: 61965322

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.15422094
• LogD (pH = 7.4): -0.15221097
• Log P: -0.1521853
• Molar Refractivity: 50.9848 cm^3
• Polarizability: 17.870096 Å^3
• Polar Surface Area: 69.62 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.346

Product Information

• Purity: 95%