8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

C19H23ClN6 — CID 22431422

IUPAC8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1ccc2nc(N3CCN(C4CCCCC4)CC3)c3nncn3c2c1
InChIInChI=1S/C19H23ClN6/c20-14-6-7-16-17(12-14)26-13-21-23-19(26)18(22-16)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2
InChIKeyXOLSXYDRMPKPOG-UHFFFAOYSA-N
MW370.89 g/mol
LogP3.39
Rot. Bonds2

About 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline

8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 22431422) has the molecular formula C19H23ClN6 and a molecular weight of 370.89 g/mol. Its IUPAC name is 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID22431422
Molecular FormulaC19H23ClN6
Molecular Weight370.89 g/mol
Exact Mass370.17
IUPAC Name8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1ccc2nc(N3CCN(C4CCCCC4)CC3)c3nncn3c2c1
InChIInChI=1S/C19H23ClN6/c20-14-6-7-16-17(12-14)26-13-21-23-19(26)18(22-16)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2
InChIKeyXOLSXYDRMPKPOG-UHFFFAOYSA-N
XLogP3.39
TPSA49.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.89
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline with MolForge

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Related Compounds

8-Chloro-1-phenyl-(1,2,4)triazolo(4,3-a)quinoxalin-4-amine
CID 124473
7-Chloro-3-(1H-imidazol-1-yl)benzo[e][1,2,4]triazine
CID 21014966
4-(4-Benzylpiperazin-1-yl)-7-chloropyrrolo[1,2-a]quinoxaline
CID 10738329
N-cyclohexyl-1-methyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 802045
N-(3-chloro-4-methylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 5295764
[1,2,4]Triazolo[4,3-a]quinoxalin-4-amine, 8-chloro-N-(2-methylcyclohexyl)-
CID 20889067
Diethyl-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl-amine
CID 654516
4-Chloro[1,2,4]triazolo[4,3-a]quinoxaline
CID 1126118
4-(4-Ethylpiperazin-1-yl)[1,2,4]triazolo[4,3-a]quinoxaline
CID 16194075
N-(2-piperidin-1-ylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 16194131
N-(4-piperidin-1-ylphenyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 16195582
8-chloro-N-(2-phenylpropyl)[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 20889080

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 22431422) is 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is Clc1ccc2nc(N3CCN(C4CCCCC4)CC3)c3nncn3c2c1.
What is the InChIKey of 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is XOLSXYDRMPKPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN6/c20-14-6-7-16-17(12-14)26-13-21-23-19(26)18(22-16)25-10-8-24(9-11-25)15-4-2-1-3-5-15/h6-7,12-13,15H,1-5,8-11H2.
What are the key properties of 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 370.89 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 22431422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).