(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone

C7H10N4O4 — CID 3140728

IUPAC(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone
SMILESNc1no[n+]([O-])c1C(=O)N1CCOCC1
InChIInChI=1S/C7H10N4O4/c8-6-5(11(13)15-9-6)7(12)10-1-3-14-4-2-10/h1-4H2,(H2,8,9)
InChIKeyAKHQQCRSOIRCGE-UHFFFAOYSA-N
MW214.18 g/mol
LogP-1.64
Rot. Bonds1

About (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone

(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone (PubChem CID 3140728) has the molecular formula C7H10N4O4 and a molecular weight of 214.18 g/mol. Its IUPAC name is (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone
PubChem CID3140728
Molecular FormulaC7H10N4O4
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone
SMILESNc1no[n+]([O-])c1C(=O)N1CCOCC1
InChIInChI=1S/C7H10N4O4/c8-6-5(11(13)15-9-6)7(12)10-1-3-14-4-2-10/h1-4H2,(H2,8,9)
InChIKeyAKHQQCRSOIRCGE-UHFFFAOYSA-N
XLogP-1.64
TPSA108.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 5-1.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N_oxide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone (CID 3140728) is (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone is Nc1no[n+]([O-])c1C(=O)N1CCOCC1.
What is the InChIKey of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone?
The InChIKey is AKHQQCRSOIRCGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O4/c8-6-5(11(13)15-9-6)7(12)10-1-3-14-4-2-10/h1-4H2,(H2,8,9).
What are the key properties of (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone?
(4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone has a molecular weight of 214.18 g/mol, XLogP of -1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2-oxido-1,2,5-oxadiazol-2-ium-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 3140728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).