8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

C13H12BrClN6 — CID 58475460

IUPAC8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1cc(Br)cc2c1nc(N1CCNCC1)c1nncn12
InChIInChI=1S/C13H12BrClN6/c14-8-5-9(15)11-10(6-8)21-7-17-19-13(21)12(18-11)20-3-1-16-2-4-20/h5-7,16H,1-4H2
InChIKeySSQZKUMNQCXWCI-UHFFFAOYSA-N
MW367.64 g/mol
LogP2.10
Rot. Bonds1

About 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 58475460) has the molecular formula C13H12BrClN6 and a molecular weight of 367.64 g/mol. Its IUPAC name is 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID58475460
Molecular FormulaC13H12BrClN6
Molecular Weight367.64 g/mol
Exact Mass366.00
IUPAC Name8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1cc(Br)cc2c1nc(N1CCNCC1)c1nncn12
InChIInChI=1S/C13H12BrClN6/c14-8-5-9(15)11-10(6-8)21-7-17-19-13(21)12(18-11)20-3-1-16-2-4-20/h5-7,16H,1-4H2
InChIKeySSQZKUMNQCXWCI-UHFFFAOYSA-N
XLogP2.10
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.64
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58476082
8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
CID 66686772
12-chloro-7-(1,4-diazepan-1-yl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 71548317
9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 58476092
8-bromo-4-chloro-6-fluoro-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58476034
8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475616
8-chloro-3-methyl-2-piperazin-1-ylquinoline
CID 84638749
9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 59320538
8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 53380576
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
12-chloro-11-isocyano-7-(4-methylpiperazin-1-yl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,7,9,11-hexaene
CID 123807903
3-bromo-8-chloro-6-methyl-4-piperazin-1-ylquinoline
CID 121236378

Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 58475460) is 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline is Clc1cc(Br)cc2c1nc(N1CCNCC1)c1nncn12.
What is the InChIKey of 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is SSQZKUMNQCXWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN6/c14-8-5-9(15)11-10(6-8)21-7-17-19-13(21)12(18-11)20-3-1-16-2-4-20/h5-7,16H,1-4H2.
What are the key properties of 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 367.64 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 58475460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).