3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide

C8H12N4O4 — CID 13046446

IUPAC3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide
SMILESCN(C)C(=O)c1no[n+]([O-])c1C(=O)N(C)C
InChIInChI=1S/C8H12N4O4/c1-10(2)7(13)5-6(8(14)11(3)4)12(15)16-9-5/h1-4H3
InChIKeyWSJSLSAVNFCNCZ-UHFFFAOYSA-N
MW228.21 g/mol
LogP-1.29
Rot. Bonds2

About 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide

3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide (PubChem CID 13046446) has the molecular formula C8H12N4O4 and a molecular weight of 228.21 g/mol. Its IUPAC name is 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide
PubChem CID13046446
Molecular FormulaC8H12N4O4
Molecular Weight228.21 g/mol
Exact Mass228.09
IUPAC Name3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide
SMILESCN(C)C(=O)c1no[n+]([O-])c1C(=O)N(C)C
InChIInChI=1S/C8H12N4O4/c1-10(2)7(13)5-6(8(14)11(3)4)12(15)16-9-5/h1-4H3
InChIKeyWSJSLSAVNFCNCZ-UHFFFAOYSA-N
XLogP-1.29
TPSA93.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 5-1.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide?
The IUPAC name of 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide (CID 13046446) is 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide.
What is the SMILES notation for 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide?
The canonical SMILES for 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide is CN(C)C(=O)c1no[n+]([O-])c1C(=O)N(C)C.
What is the InChIKey of 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide?
The InChIKey is WSJSLSAVNFCNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4/c1-10(2)7(13)5-6(8(14)11(3)4)12(15)16-9-5/h1-4H3.
What are the key properties of 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide?
3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide has a molecular weight of 228.21 g/mol, XLogP of -1.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4-N,4-N-tetramethyl-2-oxido-1,2,5-oxadiazol-2-ium-3,4-dicarboxamide is sourced from PubChem (CID 13046446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).