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

C13H12ClF4N7 — CID 66686338

IUPAC7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride
SMILESCl.Fc1cc2nc(N3CCNCC3)c3nnnn3c2cc1C(F)(F)F
InChIInChI=1S/C13H11F4N7.ClH/c14-8-6-9-10(5-7(8)13(15,16)17)24-12(20-21-22-24)11(19-9)23-3-1-18-2-4-23;/h5-6,18H,1-4H2;1H
InChIKeyUOASASDAUPPNHS-UHFFFAOYSA-N
MW377.73 g/mol
LogP1.66
Rot. Bonds1

About 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride

7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride (PubChem CID 66686338) has the molecular formula C13H12ClF4N7 and a molecular weight of 377.73 g/mol. Its IUPAC name is 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride.

Molecular Properties

Compound Name7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride
PubChem CID66686338
Molecular FormulaC13H12ClF4N7
Molecular Weight377.73 g/mol
Exact Mass377.08
IUPAC Name7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride
SMILESCl.Fc1cc2nc(N3CCNCC3)c3nnnn3c2cc1C(F)(F)F
InChIInChI=1S/C13H11F4N7.ClH/c14-8-6-9-10(5-7(8)13(15,16)17)24-12(20-21-22-24)11(19-9)23-3-1-18-2-4-23;/h5-6,18H,1-4H2;1H
InChIKeyUOASASDAUPPNHS-UHFFFAOYSA-N
XLogP1.66
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride?
The IUPAC name of 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride (CID 66686338) is 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride.
What is the SMILES notation for 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride?
The canonical SMILES for 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride is Cl.Fc1cc2nc(N3CCNCC3)c3nnnn3c2cc1C(F)(F)F.
What is the InChIKey of 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride?
The InChIKey is UOASASDAUPPNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F4N7.ClH/c14-8-6-9-10(5-7(8)13(15,16)17)24-12(20-21-22-24)11(19-9)23-3-1-18-2-4-23;/h5-6,18H,1-4H2;1H.
What are the key properties of 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride?
7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride has a molecular weight of 377.73 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline;hydrochloride is sourced from PubChem (CID 66686338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).