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

C14H12F4N6 — CID 59320538

IUPAC9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1c(C(F)(F)F)ccc2nc(N3CCNCC3)c3nncn3c12
InChIInChI=1S/C14H12F4N6/c15-10-8(14(16,17)18)1-2-9-11(10)24-7-20-22-13(24)12(21-9)23-5-3-19-4-6-23/h1-2,7,19H,3-6H2
InChIKeyIEFUDDVLNSMACG-UHFFFAOYSA-N
MW340.28 g/mol
LogP1.85
Rot. Bonds1

About 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline

9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 59320538) has the molecular formula C14H12F4N6 and a molecular weight of 340.28 g/mol. Its IUPAC name is 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID59320538
Molecular FormulaC14H12F4N6
Molecular Weight340.28 g/mol
Exact Mass340.11
IUPAC Name9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESFc1c(C(F)(F)F)ccc2nc(N3CCNCC3)c3nncn3c12
InChIInChI=1S/C14H12F4N6/c15-10-8(14(16,17)18)1-2-9-11(10)24-7-20-22-13(24)12(21-9)23-5-3-19-4-6-23/h1-2,7,19H,3-6H2
InChIKeyIEFUDDVLNSMACG-UHFFFAOYSA-N
XLogP1.85
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.28
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
CID 58476092
8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
CID 66686772
6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58476082
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58475763
8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475460
6-fluoro-3-methyl-2-piperazin-1-ylquinoline
CID 28809528
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
7,8-difluoro-3-piperazin-1-yl-1H-quinoxalin-2-one
CID 59995586
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
CID 58475593
5-piperazin-1-yl-9-(trifluoromethyl)pyrazino[2,3-c]quinoline
CID 143957400
1-[6-ethylsulfanyl-5-(trifluoromethyl)-2-pyridinyl]piperazine
CID 11725490
1-[(1S)-1-[3-chloro-2-fluoro-6-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171292589

Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 59320538) is 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is Fc1c(C(F)(F)F)ccc2nc(N3CCNCC3)c3nncn3c12.
What is the InChIKey of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is IEFUDDVLNSMACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N6/c15-10-8(14(16,17)18)1-2-9-11(10)24-7-20-22-13(24)12(21-9)23-5-3-19-4-6-23/h1-2,7,19H,3-6H2.
What are the key properties of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline?
9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 340.28 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 59320538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).