5-methylpyridazin-3-amine

• ChemBase ID: 90599
• Molecular Formular: C5H7N3
• Molecular Mass: 109.12918
• Monoisotopic Mass: 109.06399724
• SMILES: n1nc(cc(c1)C)N
• Canonical SMILES: Cc1cnnc(c1)N
• InChI: InChI=1S/C5H7N3/c1-4-2-5(6)8-7-3-4/h2-3H,1H3,(H2,6,8)
• InChIKey: NDPKVJZZCMFBIO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methylpyridazin-3-amine
• IUPAC Traditional name: 5-methylpyridazin-3-amine
• Synonyms: 5-Methylpyridazin-3-amine; 3-Amino-5-methylpyridazine; 5-methylpyridazin-3-amine

Database IDs

• CAS Number: 144294-43-9
• MDL Number: MFCD10698051
• PubChem SID: 162077389
• PubChem CID: 14743344

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.21781673
• LogD (pH = 7.4): 0.050005153
• Log P: 0.054756403
• Molar Refractivity: 33.8195 cm^3
• Polarizability: 11.4501295 Å^3
• Polar Surface Area: 51.8 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Harmful/Irritant/Keep Cold

Product Information

• Purity: 97%; 98%