2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

C15H10N4O3 — CID 10040075

IUPAC2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESO=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12
InChIInChI=1S/C15H10N4O3/c20-10-7-5-9(6-8-10)19-15(22)18-12-4-2-1-3-11(12)16-14(21)13(18)17-19/h1-8,20H,(H,16,21)
InChIKeyKHGCQSCIWKUGDL-UHFFFAOYSA-N
MW294.27 g/mol
LogP1.03
Rot. Bonds1

About 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione

2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (PubChem CID 10040075) has the molecular formula C15H10N4O3 and a molecular weight of 294.27 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
PubChem CID10040075
Molecular FormulaC15H10N4O3
Molecular Weight294.27 g/mol
Exact Mass294.08
IUPAC Name2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione
SMILESO=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12
InChIInChI=1S/C15H10N4O3/c20-10-7-5-9(6-8-10)19-15(22)18-12-4-2-1-3-11(12)16-14(21)13(18)17-19/h1-8,20H,(H,16,21)
InChIKeyKHGCQSCIWKUGDL-UHFFFAOYSA-N
XLogP1.03
TPSA92.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.27
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The IUPAC name of 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione (CID 10040075) is 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The canonical SMILES for 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is O=c1[nH]c2ccccc2n2c(=O)n(-c3ccc(O)cc3)nc12.
What is the InChIKey of 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
The InChIKey is KHGCQSCIWKUGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O3/c20-10-7-5-9(6-8-10)19-15(22)18-12-4-2-1-3-11(12)16-14(21)13(18)17-19/h1-8,20H,(H,16,21).
What are the key properties of 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione?
2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione has a molecular weight of 294.27 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5H-[1,2,4]triazolo[4,3-a]quinoxaline-1,4-dione is sourced from PubChem (CID 10040075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).