9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

C13H14ClN7 — CID 58476092

IUPAC9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESNc1ccc2nc(N3CCNCC3)c3nncn3c2c1Cl
InChIInChI=1S/C13H14ClN7/c14-10-8(15)1-2-9-11(10)21-7-17-19-13(21)12(18-9)20-5-3-16-4-6-20/h1-2,7,16H,3-6,15H2
InChIKeyCAIJHTLFGACGRI-UHFFFAOYSA-N
MW303.76 g/mol
LogP0.92
Rot. Bonds1

About 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine

9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (PubChem CID 58476092) has the molecular formula C13H14ClN7 and a molecular weight of 303.76 g/mol. Its IUPAC name is 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.

Molecular Properties

Compound Name9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
PubChem CID58476092
Molecular FormulaC13H14ClN7
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine
SMILESNc1ccc2nc(N3CCNCC3)c3nncn3c2c1Cl
InChIInChI=1S/C13H14ClN7/c14-10-8(15)1-2-9-11(10)21-7-17-19-13(21)12(18-9)20-5-3-16-4-6-20/h1-2,7,16H,3-6,15H2
InChIKeyCAIJHTLFGACGRI-UHFFFAOYSA-N
XLogP0.92
TPSA84.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine with MolForge

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Launch Full Analysis

Related Compounds

9-fluoro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 59320538
8-bromo-6-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475460
8-bromo-7-fluoro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxaline;hydrochloride
CID 66686772
6-chloro-4-piperazin-1-yl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58476082
12-chloro-7-(1,4-diazepan-1-yl)-2,4,5,8,10-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene
CID 71548317
8-chloro-7-methyl-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475616
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431422
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
CID 58475593
8-chloro-4-piperazin-1-yl-[1,2,4]triazolo[1,5-a]quinoxaline
CID 58475394
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 7304641
8-chloro-7-fluoro-4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 58475826

Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The IUPAC name of 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine (CID 58476092) is 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine.
What is the SMILES notation for 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The canonical SMILES for 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is Nc1ccc2nc(N3CCNCC3)c3nncn3c2c1Cl.
What is the InChIKey of 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
The InChIKey is CAIJHTLFGACGRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7/c14-10-8(15)1-2-9-11(10)21-7-17-19-13(21)12(18-9)20-5-3-16-4-6-20/h1-2,7,16H,3-6,15H2.
What are the key properties of 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine?
9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine has a molecular weight of 303.76 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-piperazin-1-yl-[1,2,4]triazolo[4,3-a]quinoxalin-8-amine is sourced from PubChem (CID 58476092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).