4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline

C16H9ClN6S — CID 11792335

IUPAC4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1cc(-c2nc3ccccc3n3c(-c4cccs4)nnc23)n[nH]1
InChIInChI=1S/C16H9ClN6S/c17-13-8-10(19-20-13)14-16-22-21-15(12-6-3-7-24-12)23(16)11-5-2-1-4-9(11)18-14/h1-8H,(H,19,20)
InChIKeyUABHLPMGRMGTDQ-UHFFFAOYSA-N
MW352.81 g/mol
LogP4.05
Rot. Bonds2

About 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline

4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline (PubChem CID 11792335) has the molecular formula C16H9ClN6S and a molecular weight of 352.81 g/mol. Its IUPAC name is 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline.

Molecular Properties

Compound Name4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline
PubChem CID11792335
Molecular FormulaC16H9ClN6S
Molecular Weight352.81 g/mol
Exact Mass352.03
IUPAC Name4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline
SMILESClc1cc(-c2nc3ccccc3n3c(-c4cccs4)nnc23)n[nH]1
InChIInChI=1S/C16H9ClN6S/c17-13-8-10(19-20-13)14-16-22-21-15(12-6-3-7-24-12)23(16)11-5-2-1-4-9(11)18-14/h1-8H,(H,19,20)
InChIKeyUABHLPMGRMGTDQ-UHFFFAOYSA-N
XLogP4.05
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The IUPAC name of 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline (CID 11792335) is 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline.
What is the SMILES notation for 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The canonical SMILES for 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline is Clc1cc(-c2nc3ccccc3n3c(-c4cccs4)nnc23)n[nH]1.
What is the InChIKey of 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
The InChIKey is UABHLPMGRMGTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9ClN6S/c17-13-8-10(19-20-13)14-16-22-21-15(12-6-3-7-24-12)23(16)11-5-2-1-4-9(11)18-14/h1-8H,(H,19,20).
What are the key properties of 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline?
4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline has a molecular weight of 352.81 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-1H-pyrazol-3-yl)-1-thiophen-2-yl-[1,2,4]triazolo[4,3-a]quinoxaline is sourced from PubChem (CID 11792335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).