ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate

C17H19ClN6O2 — CID 6624642

IUPACethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C17H19ClN6O2/c1-2-26-17(25)23-7-5-12(6-8-23)20-15-16-22-19-10-24(16)14-9-11(18)3-4-13(14)21-15/h3-4,9-10,12H,2,5-8H2,1H3,(H,20,21)
InChIKeyZTFHZVOIXJGNMJ-UHFFFAOYSA-N
MW374.83 g/mol
LogP2.96
Rot. Bonds3

About ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate

ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate (PubChem CID 6624642) has the molecular formula C17H19ClN6O2 and a molecular weight of 374.83 g/mol. Its IUPAC name is ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate
PubChem CID6624642
Molecular FormulaC17H19ClN6O2
Molecular Weight374.83 g/mol
Exact Mass374.13
IUPAC Nameethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3n3cnnc23)CC1
InChIInChI=1S/C17H19ClN6O2/c1-2-26-17(25)23-7-5-12(6-8-23)20-15-16-22-19-10-24(16)14-9-11(18)3-4-13(14)21-15/h3-4,9-10,12H,2,5-8H2,1H3,(H,20,21)
InChIKeyZTFHZVOIXJGNMJ-UHFFFAOYSA-N
XLogP2.96
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.83
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate (CID 6624642) is ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(Nc2nc3ccc(Cl)cc3n3cnnc23)CC1.
What is the InChIKey of ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate?
The InChIKey is ZTFHZVOIXJGNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN6O2/c1-2-26-17(25)23-7-5-12(6-8-23)20-15-16-22-19-10-24(16)14-9-11(18)3-4-13(14)21-15/h3-4,9-10,12H,2,5-8H2,1H3,(H,20,21).
What are the key properties of ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate?
ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate has a molecular weight of 374.83 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(8-chloro-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 6624642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).