8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

C15H9ClN4O2 — CID 135518190

IUPAC8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C15H9ClN4O2/c16-9-3-6-11-12(7-9)20-14(15(22)17-11)18-13(19-20)8-1-4-10(21)5-2-8/h1-7,21H,(H,17,22)
InChIKeyNTEKDZGALLVGQE-UHFFFAOYSA-N
MW312.72 g/mol
LogP2.60
Rot. Bonds1

About 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one

8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (PubChem CID 135518190) has the molecular formula C15H9ClN4O2 and a molecular weight of 312.72 g/mol. Its IUPAC name is 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.

Molecular Properties

Compound Name8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
PubChem CID135518190
Molecular FormulaC15H9ClN4O2
Molecular Weight312.72 g/mol
Exact Mass312.04
IUPAC Name8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one
SMILESO=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccc(O)cc3)nc12
InChIInChI=1S/C15H9ClN4O2/c16-9-3-6-11-12(7-9)20-14(15(22)17-11)18-13(19-20)8-1-4-10(21)5-2-8/h1-7,21H,(H,17,22)
InChIKeyNTEKDZGALLVGQE-UHFFFAOYSA-N
XLogP2.60
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.72
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The IUPAC name of 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one (CID 135518190) is 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one.
What is the SMILES notation for 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The canonical SMILES for 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is O=c1[nH]c2ccc(Cl)cc2n2nc(-c3ccc(O)cc3)nc12.
What is the InChIKey of 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
The InChIKey is NTEKDZGALLVGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN4O2/c16-9-3-6-11-12(7-9)20-14(15(22)17-11)18-13(19-20)8-1-4-10(21)5-2-8/h1-7,21H,(H,17,22).
What are the key properties of 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one?
8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one has a molecular weight of 312.72 g/mol, XLogP of 2.60, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[1,5-a]quinoxalin-4-one is sourced from PubChem (CID 135518190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).