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

C13H11ClF3N7 — CID 58475763

IUPAC7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
SMILESFC(F)(F)c1cc2c(cc1Cl)nc(N1CCNCC1)c1nnnn12
InChIInChI=1S/C13H11ClF3N7/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
InChIKeyWEIGLDUTWHWKIL-UHFFFAOYSA-N
MW357.73 g/mol
LogP1.75
Rot. Bonds1

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

7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline (PubChem CID 58475763) has the molecular formula C13H11ClF3N7 and a molecular weight of 357.73 g/mol. Its IUPAC name is 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
PubChem CID58475763
Molecular FormulaC13H11ClF3N7
Molecular Weight357.73 g/mol
Exact Mass357.07
IUPAC Name7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
SMILESFC(F)(F)c1cc2c(cc1Cl)nc(N1CCNCC1)c1nnnn12
InChIInChI=1S/C13H11ClF3N7/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
InChIKeyWEIGLDUTWHWKIL-UHFFFAOYSA-N
XLogP1.75
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.73
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline (CID 58475763) is 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline is FC(F)(F)c1cc2c(cc1Cl)nc(N1CCNCC1)c1nnnn12.
What is the InChIKey of 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
The InChIKey is WEIGLDUTWHWKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClF3N7/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.
What are the key properties of 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline?
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline has a molecular weight of 357.73 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58475763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).