7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

C12H13Cl3N2 — CID 22595945

IUPAC7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESCC1CNCc2cc3cc(Cl)c(Cl)cc3n21.Cl
InChIInChI=1S/C12H12Cl2N2.ClH/c1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H
InChIKeyUMGBMDVWDITPMH-UHFFFAOYSA-N
MW291.61 g/mol
LogP4.03
Rot. Bonds

About 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (PubChem CID 22595945) has the molecular formula C12H13Cl3N2 and a molecular weight of 291.61 g/mol. Its IUPAC name is 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
PubChem CID22595945
Molecular FormulaC12H13Cl3N2
Molecular Weight291.61 g/mol
Exact Mass290.01
IUPAC Name7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESCC1CNCc2cc3cc(Cl)c(Cl)cc3n21.Cl
InChIInChI=1S/C12H12Cl2N2.ClH/c1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H
InChIKeyUMGBMDVWDITPMH-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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Related Compounds

5-chloro-2-methyl-3-(1,2,3,6-tetrahydro-4-pyridinyl)-1H-indole
CID 10131112
(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
8-Chloro-2,3,4,5-tetrahydro-1H-pyrido(4,3-b)indole
CID 904970
8-chloro-2-methyl-1H,2H,3H,4H,5H-pyrido(4,3-b)indole
CID 19615
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

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The IUPAC name of 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (CID 22595945) is 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is CC1CNCc2cc3cc(Cl)c(Cl)cc3n21.Cl.
What is the InChIKey of 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The InChIKey is UMGBMDVWDITPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2.ClH/c1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H.
What are the key properties of 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
7,8-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 7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is sourced from PubChem (CID 22595945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).