(1Z)-N,2-dimethyl-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-imine hydrochloride

• ChemBase ID: 183146
• Molecular Formular: C13H16ClN3
• Molecular Mass: 249.73924
• Monoisotopic Mass: 249.10327521
• SMILES: c12n(c3c(c2)cccc3)CCN(/C/1=N\C)C.Cl
• Canonical SMILES: C/N=C/1\N(C)CCn2c1cc1c2cccc1.Cl
• InChI: InChI=1S/C13H15N3.ClH/c1-14-13-12-9-10-5-3-4-6-11(10)16(12)8-7-15(13)2;/h3-6,9H,7-8H2,1-2H3;1H/b14-13-
• InChIKey: MRTPTTATPPVVRL-HPWRNOGASA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1Z)-N,2-dimethyl-1H,2H,3H,4H-pyrazino[1,2-a]indol-1-imine hydrochloride
• IUPAC Traditional name: (1Z)-N,2-dimethyl-3H,4H-pyrazino[1,2-a]indol-1-imine hydrochloride

Database IDs

• PubChem SID: 164239056
• PubChem CID: 52993289

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -0.68708014
• LogD (pH = 7.4): -0.6503865
• Log P: 1.72789
• Molar Refractivity: 66.1733 cm^3
• Polarizability: 25.830145 Å^3
• Polar Surface Area: 20.53 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds