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

C18H18N7+ — CID 7304641

IUPAC4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)[nH+]c1
InChIInChI=1S/C18H17N7/c1-2-6-15-14(5-1)21-17(18-22-20-13-25(15)18)24-11-9-23(10-12-24)16-7-3-4-8-19-16/h1-8,13H,9-12H2/p+1
InChIKeyLBLCQCTVCDCCPB-UHFFFAOYSA-O
MW332.39 g/mol
LogP1.42
Rot. Bonds2

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

4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 7304641) has the molecular formula C18H18N7+ and a molecular weight of 332.39 g/mol. Its IUPAC name is 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID7304641
Molecular FormulaC18H18N7+
Molecular Weight332.39 g/mol
Exact Mass332.16
IUPAC Name4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESc1ccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)[nH+]c1
InChIInChI=1S/C18H17N7/c1-2-6-15-14(5-1)21-17(18-22-20-13-25(15)18)24-11-9-23(10-12-24)16-7-3-4-8-19-16/h1-8,13H,9-12H2/p+1
InChIKeyLBLCQCTVCDCCPB-UHFFFAOYSA-O
XLogP1.42
TPSA63.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

4-[(3R)-3-methyl-4-(4-methylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxaline
CID 92512556
4-(3,4-dihydro-2H-quinolin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 5307993
8-chloro-4-(4-pyridin-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431420
N-(2-phenylethyl)-1-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)piperidine-4-carboxamide
CID 22432514
4-[4-(2-methoxyphenyl)piperazin-1-yl]-8-methyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 20880232
4-(4-methylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline-8-carbonitrile
CID 58475593
N-acetyl-N-([1,2,4]triazolo[4,3-a]quinoxalin-4-yl)acetamide
CID 13385787
2-ethyl-3-methyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 4747505
[4-[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-8-yl]-phenylmethanone
CID 15989785
4-propan-2-ylsulfanyl-[1,2,4]triazolo[4,3-a]quinoxaline
CID 6460812
N,N-di(propan-2-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine
CID 102059594
8-chloro-4-(4-cyclohexylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline
CID 22431422

Frequently Asked Questions

What is the IUPAC name of 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline (CID 7304641) is 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is c1ccc(N2CCN(c3nc4ccccc4n4cnnc34)CC2)[nH+]c1.
What is the InChIKey of 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is LBLCQCTVCDCCPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C18H17N7/c1-2-6-15-14(5-1)21-17(18-22-20-13-25(15)18)24-11-9-23(10-12-24)16-7-3-4-8-19-16/h1-8,13H,9-12H2/p+1.
What are the key properties of 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 332.39 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 7304641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).