7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

C16H10FN5O2 — CID 53170811

IUPAC7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C16H10FN5O2/c17-9-6-7-12-11(8-9)19-16(24)14-13(20-21-22(12)14)15(23)18-10-4-2-1-3-5-10/h1-8H,(H,18,23)(H,19,24)
InChIKeyJFOVAHFWCIJQLU-UHFFFAOYSA-N
MW323.29 g/mol
LogP1.96
Rot. Bonds2

About 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide

7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170811) has the molecular formula C16H10FN5O2 and a molecular weight of 323.29 g/mol. Its IUPAC name is 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170811
Molecular FormulaC16H10FN5O2
Molecular Weight323.29 g/mol
Exact Mass323.08
IUPAC Name7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C16H10FN5O2/c17-9-6-7-12-11(8-9)19-16(24)14-13(20-21-22(12)14)15(23)18-10-4-2-1-3-5-10/h1-8H,(H,18,23)(H,19,24)
InChIKeyJFOVAHFWCIJQLU-UHFFFAOYSA-N
XLogP1.96
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.29
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170811) is 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is O=C(Nc1ccccc1)c1nnn2c1c(=O)[nH]c1cc(F)ccc12.
What is the InChIKey of 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is JFOVAHFWCIJQLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2/c17-9-6-7-12-11(8-9)19-16(24)14-13(20-21-22(12)14)15(23)18-10-4-2-1-3-5-10/h1-8H,(H,18,23)(H,19,24).
What are the key properties of 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 323.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-4-oxo-N-phenyl-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).