8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline

C12H11ClFN7 — CID 58475567

IUPAC8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
SMILESFc1cc2nc(N3CCNCC3)c3nnnn3c2cc1Cl
InChIInChI=1S/C12H11ClFN7/c13-7-5-10-9(6-8(7)14)16-11(12-17-18-19-21(10)12)20-3-1-15-2-4-20/h5-6,15H,1-4H2
InChIKeyTUGQMPJLMZUNON-UHFFFAOYSA-N
MW307.72 g/mol
LogP0.87
Rot. Bonds1

About 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline

8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline (PubChem CID 58475567) has the molecular formula C12H11ClFN7 and a molecular weight of 307.72 g/mol. Its IUPAC name is 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
PubChem CID58475567
Molecular FormulaC12H11ClFN7
Molecular Weight307.72 g/mol
Exact Mass307.07
IUPAC Name8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
SMILESFc1cc2nc(N3CCNCC3)c3nnnn3c2cc1Cl
InChIInChI=1S/C12H11ClFN7/c13-7-5-10-9(6-8(7)14)16-11(12-17-18-19-21(10)12)20-3-1-15-2-4-20/h5-6,15H,1-4H2
InChIKeyTUGQMPJLMZUNON-UHFFFAOYSA-N
XLogP0.87
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.72
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline;hydrochloride
CID 66686703
7-chloro-4-piperazin-1-yl-8-(trifluoromethyl)tetrazolo[1,5-a]quinoxaline
CID 58475763
8-chloro-4-(4-chloropiperazin-1-yl)-7-fluoroimidazo[1,2-a]quinoxaline
CID 88906287
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826
8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
CID 66686772
8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 58475394
4-[4-(4-fluorophenyl)piperazin-1-yl]tetrazolo[1,5-a]quinoxaline
CID 20889100
6-chloro-5-fluoro-2-piperazin-1-yl-1,3-benzoxazole
CID 82232681
4-(tetrazolo[1,5-a]quinoxalin-4-yl)morpholine
CID 5309141
2-(4-chloro-2,5-difluorophenyl)-4-piperazin-1-yl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide;dihydrochloride
CID 67198809
1-(3,5,6-trichloro-2-pyridinyl)piperazine
CID 103607077
2-chloro-5-fluoro-4-piperazin-1-ylpyrimidine
CID 53393355

Frequently Asked Questions

What is the IUPAC name of 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The IUPAC name of 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline (CID 58475567) is 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline is Fc1cc2nc(N3CCNCC3)c3nnnn3c2cc1Cl.
What is the InChIKey of 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The InChIKey is TUGQMPJLMZUNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN7/c13-7-5-10-9(6-8(7)14)16-11(12-17-18-19-21(10)12)20-3-1-15-2-4-20/h5-6,15H,1-4H2.
What are the key properties of 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline has a molecular weight of 307.72 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-7-fluoro-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58475567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).