4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

C15H10N6O4 — CID 11439147

IUPAC4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESNc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12
InChIInChI=1S/C15H10N6O4/c16-13-14-18-20(8-4-6-9(22)7-5-8)15(23)19(14)10-2-1-3-11(21(24)25)12(10)17-13/h1-7,22H,(H2,16,17)
InChIKeyZNGGCOOMIJEOKO-UHFFFAOYSA-N
MW338.28 g/mol
LogP1.23
Rot. Bonds2

About 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one

4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (PubChem CID 11439147) has the molecular formula C15H10N6O4 and a molecular weight of 338.28 g/mol. Its IUPAC name is 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.

Molecular Properties

Compound Name4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
PubChem CID11439147
Molecular FormulaC15H10N6O4
Molecular Weight338.28 g/mol
Exact Mass338.08
IUPAC Name4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one
SMILESNc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12
InChIInChI=1S/C15H10N6O4/c16-13-14-18-20(8-4-6-9(22)7-5-8)15(23)19(14)10-2-1-3-11(21(24)25)12(10)17-13/h1-7,22H,(H2,16,17)
InChIKeyZNGGCOOMIJEOKO-UHFFFAOYSA-N
XLogP1.23
TPSA141.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The IUPAC name of 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one (CID 11439147) is 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one.
What is the SMILES notation for 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The canonical SMILES for 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is Nc1nc2c([N+](=O)[O-])cccc2n2c(=O)n(-c3ccc(O)cc3)nc12.
What is the InChIKey of 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
The InChIKey is ZNGGCOOMIJEOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N6O4/c16-13-14-18-20(8-4-6-9(22)7-5-8)15(23)19(14)10-2-1-3-11(21(24)25)12(10)17-13/h1-7,22H,(H2,16,17).
What are the key properties of 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one?
4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one has a molecular weight of 338.28 g/mol, XLogP of 1.23, 2 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-hydroxyphenyl)-6-nitro-[1,2,4]triazolo[4,3-a]quinoxalin-1-one is sourced from PubChem (CID 11439147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).