8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline

C13H13F2N7 — CID 58476032

IUPAC8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline
SMILESCN1CCN(c2nc3ccc(F)c(F)c3n3nnnc23)CC1
InChIInChI=1S/C13H13F2N7/c1-20-4-6-21(7-5-20)12-13-17-18-19-22(13)11-9(16-12)3-2-8(14)10(11)15/h2-3H,4-7H2,1H3
InChIKeyOOQCXRBTYQIXLI-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.70
Rot. Bonds1

About 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline

8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline (PubChem CID 58476032) has the molecular formula C13H13F2N7 and a molecular weight of 305.29 g/mol. Its IUPAC name is 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline.

Molecular Properties

Compound Name8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline
PubChem CID58476032
Molecular FormulaC13H13F2N7
Molecular Weight305.29 g/mol
Exact Mass305.12
IUPAC Name8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline
SMILESCN1CCN(c2nc3ccc(F)c(F)c3n3nnnc23)CC1
InChIInChI=1S/C13H13F2N7/c1-20-4-6-21(7-5-20)12-13-17-18-19-22(13)11-9(16-12)3-2-8(14)10(11)15/h2-3H,4-7H2,1H3
InChIKeyOOQCXRBTYQIXLI-UHFFFAOYSA-N
XLogP0.70
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline?
The IUPAC name of 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline (CID 58476032) is 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline.
What is the SMILES notation for 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline?
The canonical SMILES for 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline is CN1CCN(c2nc3ccc(F)c(F)c3n3nnnc23)CC1.
What is the InChIKey of 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline?
The InChIKey is OOQCXRBTYQIXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N7/c1-20-4-6-21(7-5-20)12-13-17-18-19-22(13)11-9(16-12)3-2-8(14)10(11)15/h2-3H,4-7H2,1H3.
What are the key properties of 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline?
8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline has a molecular weight of 305.29 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-difluoro-4-(4-methylpiperazin-1-yl)tetrazolo[1,5-a]quinoxaline is sourced from PubChem (CID 58476032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).