5-methanimidoyl-1,3-diazinane-2,4,6-trione

C5H5N3O3 — CID 7426990

IUPAC5-methanimidoyl-1,3-diazinane-2,4,6-trione
SMILES[H]/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H5N3O3/c6-1-2-3(9)7-5(11)8-4(2)10/h1-2,6H,(H2,7,8,9,10,11)/b6-1+
InChIKeySLJOCEPWEUJGHO-LZCJLJQNSA-N
MW155.11 g/mol
LogP-1.38
Rot. Bonds1

About 5-methanimidoyl-1,3-diazinane-2,4,6-trione

5-methanimidoyl-1,3-diazinane-2,4,6-trione (PubChem CID 7426990) has the molecular formula C5H5N3O3 and a molecular weight of 155.11 g/mol. Its IUPAC name is 5-methanimidoyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-methanimidoyl-1,3-diazinane-2,4,6-trione
PubChem CID7426990
Molecular FormulaC5H5N3O3
Molecular Weight155.11 g/mol
Exact Mass155.03
IUPAC Name5-methanimidoyl-1,3-diazinane-2,4,6-trione
SMILES[H]/N=C/C1C(=O)NC(=O)NC1=O
InChIInChI=1S/C5H5N3O3/c6-1-2-3(9)7-5(11)8-4(2)10/h1-2,6H,(H2,7,8,9,10,11)/b6-1+
InChIKeySLJOCEPWEUJGHO-LZCJLJQNSA-N
XLogP-1.38
TPSA99.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.11
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methanimidoyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-methanimidoyl-1,3-diazinane-2,4,6-trione (CID 7426990) is 5-methanimidoyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-methanimidoyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-methanimidoyl-1,3-diazinane-2,4,6-trione is [H]/N=C/C1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-methanimidoyl-1,3-diazinane-2,4,6-trione?
The InChIKey is SLJOCEPWEUJGHO-LZCJLJQNSA-N. The full InChI is InChI=1S/C5H5N3O3/c6-1-2-3(9)7-5(11)8-4(2)10/h1-2,6H,(H2,7,8,9,10,11)/b6-1+.
What are the key properties of 5-methanimidoyl-1,3-diazinane-2,4,6-trione?
5-methanimidoyl-1,3-diazinane-2,4,6-trione has a molecular weight of 155.11 g/mol, XLogP of -1.38, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methanimidoyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 7426990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).