6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

C12H13Cl3N2 — CID 22338093

IUPAC6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESCC1CNCc2cc3ccc(Cl)c(Cl)c3n21.Cl
InChIInChI=1S/C12H12Cl2N2.ClH/c1-7-5-15-6-9-4-8-2-3-10(13)11(14)12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H
InChIKeyDRIUWQMBWROISZ-UHFFFAOYSA-N
MW291.61 g/mol
LogP4.03
Rot. Bonds

About 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (PubChem CID 22338093) has the molecular formula C12H13Cl3N2 and a molecular weight of 291.61 g/mol. Its IUPAC name is 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
PubChem CID22338093
Molecular FormulaC12H13Cl3N2
Molecular Weight291.61 g/mol
Exact Mass290.01
IUPAC Name6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESCC1CNCc2cc3ccc(Cl)c(Cl)c3n21.Cl
InChIInChI=1S/C12H12Cl2N2.ClH/c1-7-5-15-6-9-4-8-2-3-10(13)11(14)12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H
InChIKeyDRIUWQMBWROISZ-UHFFFAOYSA-N
XLogP4.03
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The IUPAC name of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (CID 22338093) is 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is CC1CNCc2cc3ccc(Cl)c(Cl)c3n21.Cl.
What is the InChIKey of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The InChIKey is DRIUWQMBWROISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2.ClH/c1-7-5-15-6-9-4-8-2-3-10(13)11(14)12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H.
What are the key properties of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride has a molecular weight of 291.61 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is sourced from PubChem (CID 22338093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).