9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline

C13H11F4N7 — CID 59320530

IUPAC9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
SMILESFc1c(C(F)(F)F)ccc2nc(N3CCNCC3)c3nnnn3c12
InChIInChI=1S/C13H11F4N7/c14-9-7(13(15,16)17)1-2-8-10(9)24-12(20-21-22-24)11(19-8)23-5-3-18-4-6-23/h1-2,18H,3-6H2
InChIKeyHDPRHAOFLJOILX-UHFFFAOYSA-N
MW341.27 g/mol
LogP1.24
Rot. Bonds1

About 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline

9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline (PubChem CID 59320530) has the molecular formula C13H11F4N7 and a molecular weight of 341.27 g/mol. Its IUPAC name is 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
PubChem CID59320530
Molecular FormulaC13H11F4N7
Molecular Weight341.27 g/mol
Exact Mass341.10
IUPAC Name9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
SMILESFc1c(C(F)(F)F)ccc2nc(N3CCNCC3)c3nnnn3c12
InChIInChI=1S/C13H11F4N7/c14-9-7(13(15,16)17)1-2-8-10(9)24-12(20-21-22-24)11(19-8)23-5-3-18-4-6-23/h1-2,18H,3-6H2
InChIKeyHDPRHAOFLJOILX-UHFFFAOYSA-N
XLogP1.24
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.27
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline (CID 59320530) is 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline is Fc1c(C(F)(F)F)ccc2nc(N3CCNCC3)c3nnnn3c12.
What is the InChIKey of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The InChIKey is HDPRHAOFLJOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N7/c14-9-7(13(15,16)17)1-2-8-10(9)24-12(20-21-22-24)11(19-8)23-5-3-18-4-6-23/h1-2,18H,3-6H2.
What are the key properties of 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline has a molecular weight of 341.27 g/mol, XLogP of 1.24, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 59320530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).