5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione

C7H9N3O4 — CID 20684424

IUPAC5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCON=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H9N3O4/c1-9-5(11)4(8-14-3)6(12)10(2)7(9)13/h1-3H3
InChIKeyWYDHCTRUJOBBKN-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.96
Rot. Bonds1

About 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione

5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione (PubChem CID 20684424) has the molecular formula C7H9N3O4 and a molecular weight of 199.17 g/mol. Its IUPAC name is 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
PubChem CID20684424
Molecular FormulaC7H9N3O4
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione
SMILESCON=C1C(=O)N(C)C(=O)N(C)C1=O
InChIInChI=1S/C7H9N3O4/c1-9-5(11)4(8-14-3)6(12)10(2)7(9)13/h1-3H3
InChIKeyWYDHCTRUJOBBKN-UHFFFAOYSA-N
XLogP-0.96
TPSA79.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_sixes(27)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-methoxyimino-1,3-dimethyl-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

Related Compounds

CID 101899711
CID 101899711
CID 23506187
CID 23506187
CID 59967642
CID 59967642
CID 85593651
CID 85593651
CID 87462169
CID 87462169
CID 145260634
CID 145260634
CID 178100535
CID 178100535
CID 132933617
CID 132933617

Frequently Asked Questions

What is the IUPAC name of 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione (CID 20684424) is 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione is CON=C1C(=O)N(C)C(=O)N(C)C1=O.
What is the InChIKey of 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
The InChIKey is WYDHCTRUJOBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O4/c1-9-5(11)4(8-14-3)6(12)10(2)7(9)13/h1-3H3.
What are the key properties of 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione?
5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione has a molecular weight of 199.17 g/mol, XLogP of -0.96, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxyimino-1,3-dimethyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 20684424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).