5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione

C9H10N4O4 — CID 114185364

IUPAC5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCC1(C)C(=O)NC(=O)N(Cc2ncon2)C1=O
InChIInChI=1S/C9H10N4O4/c1-9(2)6(14)11-8(16)13(7(9)15)3-5-10-4-17-12-5/h4H,3H2,1-2H3,(H,11,14,16)
InChIKeyRAAKDATXRNGPDA-UHFFFAOYSA-N
MW238.20 g/mol
LogP-0.33
Rot. Bonds2

About 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione

5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 114185364) has the molecular formula C9H10N4O4 and a molecular weight of 238.20 g/mol. Its IUPAC name is 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione
PubChem CID114185364
Molecular FormulaC9H10N4O4
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione
SMILESCC1(C)C(=O)NC(=O)N(Cc2ncon2)C1=O
InChIInChI=1S/C9H10N4O4/c1-9(2)6(14)11-8(16)13(7(9)15)3-5-10-4-17-12-5/h4H,3H2,1-2H3,(H,11,14,16)
InChIKeyRAAKDATXRNGPDA-UHFFFAOYSA-N
XLogP-0.33
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione (CID 114185364) is 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione is CC1(C)C(=O)NC(=O)N(Cc2ncon2)C1=O.
What is the InChIKey of 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is RAAKDATXRNGPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O4/c1-9(2)6(14)11-8(16)13(7(9)15)3-5-10-4-17-12-5/h4H,3H2,1-2H3,(H,11,14,16).
What are the key properties of 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione?
5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 238.20 g/mol, XLogP of -0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1-(1,2,4-oxadiazol-3-ylmethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 114185364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).