3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide

C9H9N5O3 — CID 135740316

IUPAC3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide
SMILESN/C(=N\O)c1c(N)[n+]([O-])c2ccccc2[n+]1[O-]
InChIInChI=1S/C9H9N5O3/c10-8(12-15)7-9(11)14(17)6-4-2-1-3-5(6)13(7)16/h1-4,15H,11H2,(H2,10,12)
InChIKeyOXAXXPTUBUZEJA-UHFFFAOYSA-N
MW235.20 g/mol
LogP-1.22
Rot. Bonds1

About 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide

3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide (PubChem CID 135740316) has the molecular formula C9H9N5O3 and a molecular weight of 235.20 g/mol. Its IUPAC name is 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide.

Molecular Properties

Compound Name3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide
PubChem CID135740316
Molecular FormulaC9H9N5O3
Molecular Weight235.20 g/mol
Exact Mass235.07
IUPAC Name3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide
SMILESN/C(=N\O)c1c(N)[n+]([O-])c2ccccc2[n+]1[O-]
InChIInChI=1S/C9H9N5O3/c10-8(12-15)7-9(11)14(17)6-4-2-1-3-5(6)13(7)16/h1-4,15H,11H2,(H2,10,12)
InChIKeyOXAXXPTUBUZEJA-UHFFFAOYSA-N
XLogP-1.22
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.20
LogP ≤ 5-1.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_pyridiniums_A(39)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'N_oxide', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide?
The IUPAC name of 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide (CID 135740316) is 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide.
What is the SMILES notation for 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide?
The canonical SMILES for 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide is N/C(=N\O)c1c(N)[n+]([O-])c2ccccc2[n+]1[O-].
What is the InChIKey of 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide?
The InChIKey is OXAXXPTUBUZEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3/c10-8(12-15)7-9(11)14(17)6-4-2-1-3-5(6)13(7)16/h1-4,15H,11H2,(H2,10,12).
What are the key properties of 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide?
3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide has a molecular weight of 235.20 g/mol, XLogP of -1.22, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N'-hydroxy-1,4-dioxidoquinoxaline-1,4-diium-2-carboximidamide is sourced from PubChem (CID 135740316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).