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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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).