N-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine

• ChemBase ID: 284339
• Molecular Formular: C10H16N4O
• Molecular Mass: 208.26024
• Monoisotopic Mass: 208.13241115
• SMILES: N(c1nnccc1)(CC1OCCNC1)C
• Canonical SMILES: CN(c1cccnn1)CC1CNCCO1
• InChI: InChI=1S/C10H16N4O/c1-14(10-3-2-4-12-13-10)8-9-7-11-5-6-15-9/h2-4,9,11H,5-8H2,1H3
• InChIKey: SCJNJJUOJIJHNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine
• IUPAC Traditional name: N-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine
• Synonyms: N-methyl-N-(morpholin-2-ylmethyl)pyridazin-3-amine

Database IDs

• MDL Number: MFCD22421925
• PubChem SID: 180669870
• PubChem CID: 73994618

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): -2.7251816
• LogD (pH = 7.4): -0.99247307
• Log P: -0.04483197
• Molar Refractivity: 59.9756 cm^3
• Polarizability: 22.229353 Å^3
• Polar Surface Area: 50.28 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.045

Product Information

• Purity: 95%