N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

• ChemBase ID: 271312
• Molecular Formular: C9H14N4
• Molecular Mass: 178.23426
• Monoisotopic Mass: 178.12184647
• SMILES: n1c(cc2c(n1)CCNC2)N(C)C
• Canonical SMILES: CN(c1nnc2c(c1)CNCC2)C
• InChI: InChI=1S/C9H14N4/c1-13(2)9-5-7-6-10-4-3-8(7)11-12-9/h5,10H,3-4,6H2,1-2H3
• InChIKey: FUKIEUOIMIWRNK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine
• IUPAC Traditional name: N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine
• Synonyms: N,N-dimethyl-5H,6H,7H,8H-pyrido[4,3-c]pyridazin-3-amine

Database IDs

• MDL Number: MFCD19982333
• PubChem SID: 164327222
• PubChem CID: 54592580

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -2.7589989
• LogD (pH = 7.4): -1.1173645
• Log P: 0.106365584
• Molar Refractivity: 54.4863 cm^3
• Polarizability: 19.60456 Å^3
• Polar Surface Area: 41.05 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.14

Product Information

• Purity: 95%