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

C18H16ClN7 — CID 22431420

IUPAC8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1ccc2nc(N3CCN(c4ccccn4)CC3)c3nncn3c2c1
InChIInChI=1S/C18H16ClN7/c19-13-4-5-14-15(11-13)26-12-21-23-18(26)17(22-14)25-9-7-24(8-10-25)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2
InChIKeyNUJARRZGFWWJTK-UHFFFAOYSA-N
MW365.83 g/mol
LogP2.65
Rot. Bonds2

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

8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 22431420) has the molecular formula C18H16ClN7 and a molecular weight of 365.83 g/mol. Its IUPAC name is 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID22431420
Molecular FormulaC18H16ClN7
Molecular Weight365.83 g/mol
Exact Mass365.12
IUPAC Name8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1ccc2nc(N3CCN(c4ccccn4)CC3)c3nncn3c2c1
InChIInChI=1S/C18H16ClN7/c19-13-4-5-14-15(11-13)26-12-21-23-18(26)17(22-14)25-9-7-24(8-10-25)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2
InChIKeyNUJARRZGFWWJTK-UHFFFAOYSA-N
XLogP2.65
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.83
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-chloro-2-(4-pyridin-2-ylpiperazin-1-yl)-1H-benzimidazole
CID 82562731
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826
4-[4-(2-methoxyphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20880232
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
1-chloro-4-pyridin-2-ylpiperazine
CID 130280526
(Z)-1-(2,4-dichlorophenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5402226
[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 15989785
8-chloro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoline
CID 53380276
2-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)quinazoline
CID 22692821
3,7-dimethyl-2-(4-pyridin-2-ylpiperazin-1-yl)quinoline
CID 2851670
(E)-3-(2,4-dichlorophenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)prop-2-en-1-one
CID 7974847
6-chloro-2-(4-pyrimidin-2-ylpiperazin-1-yl)quinoxaline
CID 171691657

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 22431420) is 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is Clc1ccc2nc(N3CCN(c4ccccn4)CC3)c3nncn3c2c1.
What is the InChIKey of 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is NUJARRZGFWWJTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN7/c19-13-4-5-14-15(11-13)26-12-21-23-18(26)17(22-14)25-9-7-24(8-10-25)16-3-1-2-6-20-16/h1-6,11-12H,7-10H2.
What are the key properties of 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 365.83 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 22431420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).