8-methoxy-3H,4H-pyrazino[1,2-a]indol-1-amine hydrochloride

• ChemBase ID: 193283
• Molecular Formular: C12H14ClN3O
• Molecular Mass: 251.71206
• Monoisotopic Mass: 251.08253976
• SMILES: c12n(c3c(c1)cc(cc3)OC)CCN=C2N.Cl
• Canonical SMILES: COc1ccc2c(c1)cc1n2CCN=C1N.Cl
• InChI: InChI=1S/C12H13N3O.ClH/c1-16-9-2-3-10-8(6-9)7-11-12(13)14-4-5-15(10)11;/h2-3,6-7H,4-5H2,1H3,(H2,13,14);1H
• InChIKey: RFZJLRFBSZQOQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-methoxy-3H,4H-pyrazino[1,2-a]indol-1-amine hydrochloride
• IUPAC Traditional name: 8-methoxy-3H,4H-pyrazino[1,2-a]indol-1-amine hydrochloride

Database IDs

• PubChem SID: 164249193
• PubChem CID: 3080182

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.3840687
• LogD (pH = 7.4): -1.3285089
• Log P: 1.0306333
• Molar Refractivity: 62.5672 cm^3
• Polarizability: 24.623459 Å^3
• Polar Surface Area: 52.54 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Derivatives & analogs of Natural Compounds