6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline

C13H10F5N7 — CID 143957271

IUPAC6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
SMILESFc1c(C(F)(F)F)cc2c(nc(N3CCNCC3)c3nnnn32)c1F
InChIInChI=1S/C13H10F5N7/c14-8-6(13(16,17)18)5-7-10(9(8)15)20-11(12-21-22-23-25(7)12)24-3-1-19-2-4-24/h5,19H,1-4H2
InChIKeyLNIBSQZRULTUNI-UHFFFAOYSA-N
MW359.26 g/mol
LogP1.38
Rot. Bonds1

About 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline

6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline (PubChem CID 143957271) has the molecular formula C13H10F5N7 and a molecular weight of 359.26 g/mol. Its IUPAC name is 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
PubChem CID143957271
Molecular FormulaC13H10F5N7
Molecular Weight359.26 g/mol
Exact Mass359.09
IUPAC Name6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
SMILESFc1c(C(F)(F)F)cc2c(nc(N3CCNCC3)c3nnnn32)c1F
InChIInChI=1S/C13H10F5N7/c14-8-6(13(16,17)18)5-7-10(9(8)15)20-11(12-21-22-23-25(7)12)24-3-1-19-2-4-24/h5,19H,1-4H2
InChIKeyLNIBSQZRULTUNI-UHFFFAOYSA-N
XLogP1.38
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-methyl-N-(2-phenylethyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989757
N-(4-fluorobenzyl)-8-methyl[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 15989759
N-(4-methylphenyl)-4-tetrazolo[1,5-a]quinoxalinamine
CID 16193211
6-[4-[2,3,5,6-Tetrafluoro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 623376
N-[(4-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295768
4-Cyclopentylamino-1-(trifluoromethyl)[1,2,4]triazolo[4,3-a]quinoxaline
CID 10245502
4-Isopropylamino-1-trifluoromethyl[1,2,4]triazolo[4,3-a]quinoxaline
CID 13385731
Ethyl-(1-ethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-amine
CID 13385755
(1-Ethyl-7,8-difluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)-isopropyl-amine
CID 13385793
4-Ethylamino-1-trifluoromethyl-8-fluoro[1,2,4]triazolo[4,3-a]quinoxaline
CID 13385800
4-Isopropylamino-1-trifluoromethyl-8-fluoro[1,2,4]triazolo[4,3-a]quinoxaline
CID 13385802
N-(piperidin-4-ylmethyl)-3-[3-(trifluoromethyl)phenyl]triazolo[4,5-b]pyridin-5-amine
CID 57393369

Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline (CID 143957271) is 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline is Fc1c(C(F)(F)F)cc2c(nc(N3CCNCC3)c3nnnn32)c1F.
What is the InChIKey of 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The InChIKey is LNIBSQZRULTUNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F5N7/c14-8-6(13(16,17)18)5-7-10(9(8)15)20-11(12-21-22-23-25(7)12)24-3-1-19-2-4-24/h5,19H,1-4H2.
What are the key properties of 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline has a molecular weight of 359.26 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 143957271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).