(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C12H12Cl2N2 — CID 68889185

IUPAC(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESC[C@@H]1CNCc2cc3ccc(Cl)c(Cl)c3n21
InChIInChI=1S/C12H12Cl2N2/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/t7-/m1/s1
InChIKeyWFKJETIUNAPKMJ-SSDOTTSWSA-N
MW255.15 g/mol
LogP3.61
Rot. Bonds

About (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole

(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 68889185) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID68889185
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESC[C@@H]1CNCc2cc3ccc(Cl)c(Cl)c3n21
InChIInChI=1S/C12H12Cl2N2/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/t7-/m1/s1
InChIKeyWFKJETIUNAPKMJ-SSDOTTSWSA-N
XLogP3.61
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 68889185) is (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is C[C@@H]1CNCc2cc3ccc(Cl)c(Cl)c3n21.
What is the InChIKey of (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is WFKJETIUNAPKMJ-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H12Cl2N2/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/t7-/m1/s1.
What are the key properties of (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 255.15 g/mol, XLogP of 3.61, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 68889185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).