tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-amine

• ChemBase ID: 28408
• Molecular Formular: C10H14N4
• Molecular Mass: 190.24496
• Monoisotopic Mass: 190.12184647
• SMILES: c12c(c(n(c1C)N)C)c(nnc2C)C
• Canonical SMILES: Cc1nnc(c2c1c(C)n(c2C)N)C
• InChI: InChI=1S/C10H14N4/c1-5-9-7(3)14(11)8(4)10(9)6(2)13-12-5/h11H2,1-4H3
• InChIKey: OOGFRVWKQVWDAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-amine
• IUPAC Traditional name: tetramethylpyrrolo[3,4-d]pyridazin-6-amine
• Synonyms: 1,4,5,7-Tetramethyl-6H-pyrrolo[3,4-d]pyridazin-6-amine

Database IDs

• MDL Number: MFCD02716789
• PubChem SID: 160991715
• PubChem CID: 921288

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.46222585
• LogD (pH = 7.4): -0.4586179
• Log P: -0.45857173
• Molar Refractivity: 60.3506 cm^3
• Polarizability: 21.9511 Å^3
• Polar Surface Area: 56.73 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false