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

C13H14FN7 — CID 58475674

IUPAC8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
SMILESCc1cc2nc(N3CCNCC3)c3nnnn3c2cc1F
InChIInChI=1S/C13H14FN7/c1-8-6-10-11(7-9(8)14)21-13(17-18-19-21)12(16-10)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
InChIKeyNOHDDCMUCPEMFS-UHFFFAOYSA-N
MW287.30 g/mol
LogP0.53
Rot. Bonds1

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

8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline (PubChem CID 58475674) has the molecular formula C13H14FN7 and a molecular weight of 287.30 g/mol. Its IUPAC name is 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
PubChem CID58475674
Molecular FormulaC13H14FN7
Molecular Weight287.30 g/mol
Exact Mass287.13
IUPAC Name8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline
SMILESCc1cc2nc(N3CCNCC3)c3nnnn3c2cc1F
InChIInChI=1S/C13H14FN7/c1-8-6-10-11(7-9(8)14)21-13(17-18-19-21)12(16-10)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3
InChIKeyNOHDDCMUCPEMFS-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The IUPAC name of 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline (CID 58475674) is 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline is Cc1cc2nc(N3CCNCC3)c3nnnn3c2cc1F.
What is the InChIKey of 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
The InChIKey is NOHDDCMUCPEMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN7/c1-8-6-10-11(7-9(8)14)21-13(17-18-19-21)12(16-10)20-4-2-15-3-5-20/h6-7,15H,2-5H2,1H3.
What are the key properties of 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline?
8-fluoro-7-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 8-fluoro-7-methyl-4-piperazin-1-yltetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58475674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).