8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride

C13H13BrClFN6 — CID 66686772

IUPAC8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
SMILESCl.Fc1cc2nc(N3CCNCC3)c3nncn3c2cc1Br
InChIInChI=1S/C13H12BrFN6.ClH/c14-8-5-11-10(6-9(8)15)18-12(13-19-17-7-21(11)13)20-3-1-16-2-4-20;/h5-7,16H,1-4H2;1H
InChIKeyNUCBPPMJSTWEPE-UHFFFAOYSA-N
MW387.64 g/mol
LogP2.01
Rot. Bonds1

About 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride

8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride (PubChem CID 66686772) has the molecular formula C13H13BrClFN6 and a molecular weight of 387.64 g/mol. Its IUPAC name is 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride.

Molecular Properties

Compound Name8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
PubChem CID66686772
Molecular FormulaC13H13BrClFN6
Molecular Weight387.64 g/mol
Exact Mass386.01
IUPAC Name8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
SMILESCl.Fc1cc2nc(N3CCNCC3)c3nncn3c2cc1Br
InChIInChI=1S/C13H12BrFN6.ClH/c14-8-5-11-10(6-9(8)15)18-12(13-19-17-7-21(11)13)20-3-1-16-2-4-20;/h5-7,16H,1-4H2;1H
InChIKeyNUCBPPMJSTWEPE-UHFFFAOYSA-N
XLogP2.01
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.64
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride with MolForge

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Related Compounds

8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475460
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826
9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 59320538
6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58476082
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;hydrochloride
CID 66686703
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
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
CID 58475567
9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 58476092
8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475616
9-bromo-8-fluoro-2-methyl-5-piperazin-1-yl-[1,2,4]triazolo[1,5-c]quinazoline
CID 58475496
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
CID 58475593
3-bromo-2-piperazin-1-ylquinoline;hydrochloride
CID 166485617

Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride?
The IUPAC name of 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride (CID 66686772) is 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride.
What is the SMILES notation for 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride?
The canonical SMILES for 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride is Cl.Fc1cc2nc(N3CCNCC3)c3nncn3c2cc1Br.
What is the InChIKey of 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride?
The InChIKey is NUCBPPMJSTWEPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrFN6.ClH/c14-8-5-11-10(6-9(8)15)18-12(13-19-17-7-21(11)13)20-3-1-16-2-4-20;/h5-7,16H,1-4H2;1H.
What are the key properties of 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride?
8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride has a molecular weight of 387.64 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride is sourced from PubChem (CID 66686772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).