4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione

C8H9N5O4 — CID 66061604

IUPAC4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1nonc1N
InChIInChI=1S/C8H9N5O4/c1-3-7(15)10-4(14)2-13(3)8(16)5-6(9)12-17-11-5/h3H,2H2,1H3,(H2,9,12)(H,10,14,15)
InChIKeyWBAPUCVIAUYOIO-UHFFFAOYSA-N
MW239.19 g/mol
LogP-1.86
Rot. Bonds1

About 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione

4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66061604) has the molecular formula C8H9N5O4 and a molecular weight of 239.19 g/mol. Its IUPAC name is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66061604
Molecular FormulaC8H9N5O4
Molecular Weight239.19 g/mol
Exact Mass239.07
IUPAC Name4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC1C(=O)NC(=O)CN1C(=O)c1nonc1N
InChIInChI=1S/C8H9N5O4/c1-3-7(15)10-4(14)2-13(3)8(16)5-6(9)12-17-11-5/h3H,2H2,1H3,(H2,9,12)(H,10,14,15)
InChIKeyWBAPUCVIAUYOIO-UHFFFAOYSA-N
XLogP-1.86
TPSA131.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.19
LogP ≤ 5-1.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione with MolForge

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Related Compounds

4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062261
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66076434
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
3-methyl-4-(1-methylimidazole-4-carbonyl)piperazine-2,6-dione
CID 107973133
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-ethylpiperazin-2-one
CID 63600884
2-methyl-3,5-dioxopiperazine-1-carbohydrazide
CID 66074885
4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074118
4-(4-amino-1-methylpyrrole-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062263
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione (CID 66061604) is 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione is CC1C(=O)NC(=O)CN1C(=O)c1nonc1N.
What is the InChIKey of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is WBAPUCVIAUYOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O4/c1-3-7(15)10-4(14)2-13(3)8(16)5-6(9)12-17-11-5/h3H,2H2,1H3,(H2,9,12)(H,10,14,15).
What are the key properties of 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione?
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 239.19 g/mol, XLogP of -1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66061604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).