N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C12H9F4N5 — CID 13385800

IUPACN-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCNc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C12H9F4N5/c1-2-17-9-10-19-20-11(12(14,15)16)21(10)8-5-6(13)3-4-7(8)18-9/h3-5H,2H2,1H3,(H,17,18)
InChIKeyARTVEZWWLDUXKW-UHFFFAOYSA-N
MW299.23 g/mol
LogP2.87
Rot. Bonds2

About N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385800) has the molecular formula C12H9F4N5 and a molecular weight of 299.23 g/mol. Its IUPAC name is N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385800
Molecular FormulaC12H9F4N5
Molecular Weight299.23 g/mol
Exact Mass299.08
IUPAC NameN-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCNc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12
InChIInChI=1S/C12H9F4N5/c1-2-17-9-10-19-20-11(12(14,15)16)21(10)8-5-6(13)3-4-7(8)18-9/h3-5H,2H2,1H3,(H,17,18)
InChIKeyARTVEZWWLDUXKW-UHFFFAOYSA-N
XLogP2.87
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.23
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385800) is N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCNc1nc2ccc(F)cc2n2c(C(F)(F)F)nnc12.
What is the InChIKey of N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is ARTVEZWWLDUXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N5/c1-2-17-9-10-19-20-11(12(14,15)16)21(10)8-5-6(13)3-4-7(8)18-9/h3-5H,2H2,1H3,(H,17,18).
What are the key properties of N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 299.23 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).