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

C14H12ClF3N6 — CID 58476082

IUPAC6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFC(F)(F)c1cc(Cl)c2nc(N3CCNCC3)c3nncn3c2c1
InChIInChI=1S/C14H12ClF3N6/c15-9-5-8(14(16,17)18)6-10-11(9)21-12(13-22-20-7-24(10)13)23-3-1-19-2-4-23/h5-7,19H,1-4H2
InChIKeyUQOPAXQSSREZPI-UHFFFAOYSA-N
MW356.74 g/mol
LogP2.36
Rot. Bonds1

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

6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 58476082) has the molecular formula C14H12ClF3N6 and a molecular weight of 356.74 g/mol. Its IUPAC name is 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID58476082
Molecular FormulaC14H12ClF3N6
Molecular Weight356.74 g/mol
Exact Mass356.08
IUPAC Name6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFC(F)(F)c1cc(Cl)c2nc(N3CCNCC3)c3nncn3c2c1
InChIInChI=1S/C14H12ClF3N6/c15-9-5-8(14(16,17)18)6-10-11(9)21-12(13-22-20-7-24(10)13)23-3-1-19-2-4-23/h5-7,19H,1-4H2
InChIKeyUQOPAXQSSREZPI-UHFFFAOYSA-N
XLogP2.36
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.74
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline 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
6-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)imidazo[1,2-a]quinoxaline
CID 70909087
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-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
CID 66686772
9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 59320538
9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 58476092
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58475763
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475616
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
CID 143957400

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 58476082) is 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is FC(F)(F)c1cc(Cl)c2nc(N3CCNCC3)c3nncn3c2c1.
What is the InChIKey of 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is UQOPAXQSSREZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClF3N6/c15-9-5-8(14(16,17)18)6-10-11(9)21-12(13-22-20-7-24(10)13)23-3-1-19-2-4-23/h5-7,19H,1-4H2.
What are the key properties of 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 356.74 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 58476082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).