1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H19N5 — CID 14783685

IUPAC1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nnc2c(N3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C16H19N5/c1-2-14-18-19-16-15(20-10-6-3-7-11-20)17-12-8-4-5-9-13(12)21(14)16/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyYVAOYSFLXFWIRD-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.83
Rot. Bonds2

About 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline

1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 14783685) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID14783685
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESCCc1nnc2c(N3CCCCC3)nc3ccccc3n12
InChIInChI=1S/C16H19N5/c1-2-14-18-19-16-15(20-10-6-3-7-11-20)17-12-8-4-5-9-13(12)21(14)16/h4-5,8-9H,2-3,6-7,10-11H2,1H3
InChIKeyYVAOYSFLXFWIRD-UHFFFAOYSA-N
XLogP2.83
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 14783685) is 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline is CCc1nnc2c(N3CCCCC3)nc3ccccc3n12.
What is the InChIKey of 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is YVAOYSFLXFWIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-2-14-18-19-16-15(20-10-6-3-7-11-20)17-12-8-4-5-9-13(12)21(14)16/h4-5,8-9H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 281.36 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-piperidin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 14783685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).