N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C13H14FN5 — CID 13385757

IUPACN,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C13H14FN5/c1-3-18(4-2)12-13-17-15-8-19(13)11-7-9(14)5-6-10(11)16-12/h5-8H,3-4H2,1-2H3
InChIKeyPMGRYWNYNGBAGS-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.26
Rot. Bonds3

About N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385757) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385757
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC NameN,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCN(CC)c1nc2ccc(F)cc2n2cnnc12
InChIInChI=1S/C13H14FN5/c1-3-18(4-2)12-13-17-15-8-19(13)11-7-9(14)5-6-10(11)16-12/h5-8H,3-4H2,1-2H3
InChIKeyPMGRYWNYNGBAGS-UHFFFAOYSA-N
XLogP2.26
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385757) is N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCN(CC)c1nc2ccc(F)cc2n2cnnc12.
What is the InChIKey of N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is PMGRYWNYNGBAGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-3-18(4-2)12-13-17-15-8-19(13)11-7-9(14)5-6-10(11)16-12/h5-8H,3-4H2,1-2H3.
What are the key properties of N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 259.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).