1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

C11H10FN5 — CID 13385827

IUPAC1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N)nc3cc(F)ccc3n12
InChIInChI=1S/C11H10FN5/c1-2-9-15-16-11-10(13)14-7-5-6(12)3-4-8(7)17(9)11/h3-5H,2H2,1H3,(H2,13,14)
InChIKeyUBCHLWDWSDZNGS-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.56
Rot. Bonds1

About 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine

1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (PubChem CID 13385827) has the molecular formula C11H10FN5 and a molecular weight of 231.23 g/mol. Its IUPAC name is 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.

Molecular Properties

Compound Name1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
PubChem CID13385827
Molecular FormulaC11H10FN5
Molecular Weight231.23 g/mol
Exact Mass231.09
IUPAC Name1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
SMILESCCc1nnc2c(N)nc3cc(F)ccc3n12
InChIInChI=1S/C11H10FN5/c1-2-9-15-16-11-10(13)14-7-5-6(12)3-4-8(7)17(9)11/h3-5H,2H2,1H3,(H2,13,14)
InChIKeyUBCHLWDWSDZNGS-UHFFFAOYSA-N
XLogP1.56
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The IUPAC name of 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine (CID 13385827) is 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine.
What is the SMILES notation for 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The canonical SMILES for 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is CCc1nnc2c(N)nc3cc(F)ccc3n12.
What is the InChIKey of 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
The InChIKey is UBCHLWDWSDZNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN5/c1-2-9-15-16-11-10(13)14-7-5-6(12)3-4-8(7)17(9)11/h3-5H,2H2,1H3,(H2,13,14).
What are the key properties of 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine?
1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine has a molecular weight of 231.23 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-fluoro-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine is sourced from PubChem (CID 13385827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).