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

C13H14FN5 — CID 13385755

IUPACN,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCNc1nc2ccc(F)cc2n2c(CC)nnc12
InChIInChI=1S/C13H14FN5/c1-3-11-17-18-13-12(15-4-2)16-9-6-5-8(14)7-10(9)19(11)13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyGFKJZJPRZMGCJZ-UHFFFAOYSA-N
MW259.29 g/mol
LogP2.41
Rot. Bonds3

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

N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385755) has the molecular formula C13H14FN5 and a molecular weight of 259.29 g/mol. Its IUPAC name is N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385755
Molecular FormulaC13H14FN5
Molecular Weight259.29 g/mol
Exact Mass259.12
IUPAC NameN,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCNc1nc2ccc(F)cc2n2c(CC)nnc12
InChIInChI=1S/C13H14FN5/c1-3-11-17-18-13-12(15-4-2)16-9-6-5-8(14)7-10(9)19(11)13/h5-7H,3-4H2,1-2H3,(H,15,16)
InChIKeyGFKJZJPRZMGCJZ-UHFFFAOYSA-N
XLogP2.41
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.29
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385755) is N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCNc1nc2ccc(F)cc2n2c(CC)nnc12.
What is the InChIKey of N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is GFKJZJPRZMGCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5/c1-3-11-17-18-13-12(15-4-2)16-9-6-5-8(14)7-10(9)19(11)13/h5-7H,3-4H2,1-2H3,(H,15,16).
What are the key properties of N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 259.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-8-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).