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

C14H14FN5O2 — CID 53170808

IUPACN,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCCN(CC)C(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C14H14FN5O2/c1-3-19(4-2)14(22)11-12-13(21)16-9-7-8(15)5-6-10(9)20(12)18-17-11/h5-7H,3-4H2,1-2H3,(H,16,21)
InChIKeyJEPQZOLIPFSNLD-UHFFFAOYSA-N
MW303.30 g/mol
LogP1.19
Rot. Bonds3

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

N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (PubChem CID 53170808) has the molecular formula C14H14FN5O2 and a molecular weight of 303.30 g/mol. Its IUPAC name is N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
PubChem CID53170808
Molecular FormulaC14H14FN5O2
Molecular Weight303.30 g/mol
Exact Mass303.11
IUPAC NameN,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide
SMILESCCN(CC)C(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12
InChIInChI=1S/C14H14FN5O2/c1-3-19(4-2)14(22)11-12-13(21)16-9-7-8(15)5-6-10(9)20(12)18-17-11/h5-7H,3-4H2,1-2H3,(H,16,21)
InChIKeyJEPQZOLIPFSNLD-UHFFFAOYSA-N
XLogP1.19
TPSA83.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The IUPAC name of N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide (CID 53170808) is N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The canonical SMILES for N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is CCN(CC)C(=O)c1nnn2c1c(=O)[nH]c1cc(F)ccc12.
What is the InChIKey of N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
The InChIKey is JEPQZOLIPFSNLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN5O2/c1-3-19(4-2)14(22)11-12-13(21)16-9-7-8(15)5-6-10(9)20(12)18-17-11/h5-7H,3-4H2,1-2H3,(H,16,21).
What are the key properties of N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide?
N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide has a molecular weight of 303.30 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-7-fluoro-4-oxo-5H-triazolo[1,5-a]quinoxaline-3-carboxamide is sourced from PubChem (CID 53170808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).