N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine

C15H18FN5 — CID 70521729

IUPACN,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine
SMILESCCN(CC)CCc1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C15H18FN5/c1-3-20(4-2)8-7-13-15-19-17-10-21(15)14-9-11(16)5-6-12(14)18-13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUMFFAMJILSXHDL-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.30
Rot. Bonds5

About N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine

N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine (PubChem CID 70521729) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine
PubChem CID70521729
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC NameN,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine
SMILESCCN(CC)CCc1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C15H18FN5/c1-3-20(4-2)8-7-13-15-19-17-10-21(15)14-9-11(16)5-6-12(14)18-13/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyUMFFAMJILSXHDL-UHFFFAOYSA-N
XLogP2.30
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine?
The IUPAC name of N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine (CID 70521729) is N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine.
What is the SMILES notation for N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine?
The canonical SMILES for N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine is CCN(CC)CCc1nc2ccc(F)cc2n2cnnc12.
What is the InChIKey of N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine?
The InChIKey is UMFFAMJILSXHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-3-20(4-2)8-7-13-15-19-17-10-21(15)14-9-11(16)5-6-12(14)18-13/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine?
N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine has a molecular weight of 287.34 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)ethanamine is sourced from PubChem (CID 70521729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).