1,8,10-trimethyl-1H,2H,3H,4H-pyrazino[1,2-a]indole hydrochloride

• ChemBase ID: 182220
• Molecular Formular: C14H19ClN2
• Molecular Mass: 250.76706
• Monoisotopic Mass: 250.1236763
• SMILES: n12c(c(c3c1ccc(c3)C)C)C(NCC2)C.Cl
• Canonical SMILES: Cc1ccc2c(c1)c(C)c1n2CCNC1C.Cl
• InChI: InChI=1S/C14H18N2.ClH/c1-9-4-5-13-12(8-9)10(2)14-11(3)15-6-7-16(13)14;/h4-5,8,11,15H,6-7H2,1-3H3;1H
• InChIKey: GDJTUYRHECCGMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,8,10-trimethyl-1H,2H,3H,4H-pyrazino[1,2-a]indole hydrochloride
• IUPAC Traditional name: 1,8,10-trimethyl-1H,2H,3H,4H-pyrazino[1,2-a]indole hydrochloride

Database IDs

• PubChem SID: 164238130
• PubChem CID: 13398780

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.185648
• LogD (pH = 7.4): 1.8301034
• Log P: 3.0459266
• Molar Refractivity: 67.6989 cm^3
• Polarizability: 27.236567 Å^3
• Polar Surface Area: 16.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

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