8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline

C13H13ClN6 — CID 58475394

IUPAC8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESClc1ccc2nc(N3CCNCC3)c3ncnn3c2c1
InChIInChI=1S/C13H13ClN6/c14-9-1-2-10-11(7-9)20-12(16-8-17-20)13(18-10)19-5-3-15-4-6-19/h1-2,7-8,15H,3-6H2
InChIKeyCDLBVYZRSUVVCL-UHFFFAOYSA-N
MW288.74 g/mol
LogP1.34
Rot. Bonds1

About 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline

8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline (PubChem CID 58475394) has the molecular formula C13H13ClN6 and a molecular weight of 288.74 g/mol. Its IUPAC name is 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
PubChem CID58475394
Molecular FormulaC13H13ClN6
Molecular Weight288.74 g/mol
Exact Mass288.09
IUPAC Name8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
SMILESClc1ccc2nc(N3CCNCC3)c3ncnn3c2c1
InChIInChI=1S/C13H13ClN6/c14-9-1-2-10-11(7-9)20-12(16-8-17-20)13(18-10)19-5-3-15-4-6-19/h1-2,7-8,15H,3-6H2
InChIKeyCDLBVYZRSUVVCL-UHFFFAOYSA-N
XLogP1.34
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

9-chloro-2,3,4,5-tetrahydro-1H-[1,4]diazepino[1,7-a]benzimidazole
CID 13015895
8-bromo-2-methyl-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 53380576
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
CID 58475567
6-chloro-3-piperazin-1-yl-1H-quinoxalin-2-one
CID 59995581
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;hydrochloride
CID 66686703
3,6-dichloro-4-piperazin-1-ylquinoline
CID 121236121
8-chloro-2-methyl-4-(4-methylpiperazin-1-yl)imidazo[1,2-a]quinoxaline
CID 58475383
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58475763
7-chloro-3-piperazin-1-ylisoquinoline
CID 13025580
8-bromo-9-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58475514
5-chloro-3-piperazin-1-yl-1,2-benzothiazole
CID 71314805

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
The IUPAC name of 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline (CID 58475394) is 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
The canonical SMILES for 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline is Clc1ccc2nc(N3CCNCC3)c3ncnn3c2c1.
What is the InChIKey of 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
The InChIKey is CDLBVYZRSUVVCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN6/c14-9-1-2-10-11(7-9)20-12(16-8-17-20)13(18-10)19-5-3-15-4-6-19/h1-2,7-8,15H,3-6H2.
What are the key properties of 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline?
8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline has a molecular weight of 288.74 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58475394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).