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

C13H14FN7 — CID 58475698

IUPAC7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
SMILESCc1cc2c(cc1F)nc(N1CCNCC1)c1nnnn12
InChIInChI=1S/C13H14FN7/c1-8-6-11-10(7-9(8)14)16-12(13-17-18-19-21(11)13)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
InChIKeyVAUKICGAXBCJPP-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.53
Rot. Bonds1

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

7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline (PubChem CID 58475698) has the molecular formula C13H14FN7 and a molecular weight of 287.30 g/mol. Its IUPAC name is 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
PubChem CID58475698
Molecular FormulaC13H14FN7
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Name7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
SMILESCc1cc2c(cc1F)nc(N1CCNCC1)c1nnnn12
InChIInChI=1S/C13H14FN7/c1-8-6-11-10(7-9(8)14)16-12(13-17-18-19-21(11)13)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
InChIKeyVAUKICGAXBCJPP-UHFFFAOYSA-N
XLogP0.53
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The IUPAC name of 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline (CID 58475698) is 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline is Cc1cc2c(cc1F)nc(N1CCNCC1)c1nnnn12.
What is the InChIKey of 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The InChIKey is VAUKICGAXBCJPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN7/c1-8-6-11-10(7-9(8)14)16-12(13-17-18-19-21(11)13)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3.
What are the key properties of 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline has a molecular weight of 287.30 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-8-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58475698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).