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

C12H12Cl2N2 — CID 22338094

IUPAC6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCC1CNCc2cc3ccc(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
InChIKeyWFKJETIUNAPKMJ-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.61
Rot. Bonds

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

6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 22338094) has the molecular formula C12H12Cl2N2 and a molecular weight of 255.15 g/mol. Its IUPAC name is 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID22338094
Molecular FormulaC12H12Cl2N2
Molecular Weight255.15 g/mol
Exact Mass254.04
IUPAC Name6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCC1CNCc2cc3ccc(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
InChIKeyWFKJETIUNAPKMJ-UHFFFAOYSA-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

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Related Compounds

(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
(R,S)-1-(5-chloro-1H-indol-1-yl)propan-2-amine
CID 9855823
8-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 14595512
7-chloro-1H,2H,3H,4H-pyrazino[1,2-a]indole
CID 21868720
(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 5745501
6-Chloro-2,3,4,9-tetrahydro-1H-beta-carboline hydrochloride
CID 19807233
6-Chloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole hydrochloride
CID 24761095
6-Chloro-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole
CID 44287208
3-((4-(3,4-dichlorobenzyl)piperazin-1-yl)methyl)-1H-indole
CID 54597747
5-Chloro-1,2-dimethyl-3-(1,2,3,6-tetrahydropyridin-4-yl)indole
CID 21512050
7,8-dichloro-9-methyl-9H-pyrido(3,4-b)indole
CID 189884
4-Amino-7,8-dichloro-2-methylquinoline
CID 17039646

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 22338094) is 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is CC1CNCc2cc3ccc(Cl)c(Cl)c3n21.
What is the InChIKey of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is WFKJETIUNAPKMJ-UHFFFAOYSA-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.
What are the key properties of 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
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 6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 22338094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).