5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione

C6H9N3O4 — CID 102004268

IUPAC5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
SMILESCCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H9N3O4/c1-2-6(9-13)3(10)7-5(12)8-4(6)11/h9,13H,2H2,1H3,(H2,7,8,10,11,12)
InChIKeyXKRDFVVBBDOPEI-UHFFFAOYSA-N
MW187.15 g/mol
LogP-1.52
Rot. Bonds2

About 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione

5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione (PubChem CID 102004268) has the molecular formula C6H9N3O4 and a molecular weight of 187.15 g/mol. Its IUPAC name is 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
PubChem CID102004268
Molecular FormulaC6H9N3O4
Molecular Weight187.15 g/mol
Exact Mass187.06
IUPAC Name5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione
SMILESCCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H9N3O4/c1-2-6(9-13)3(10)7-5(12)8-4(6)11/h9,13H,2H2,1H3,(H2,7,8,10,11,12)
InChIKeyXKRDFVVBBDOPEI-UHFFFAOYSA-N
XLogP-1.52
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 5-1.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione (CID 102004268) is 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione is CCC1(NO)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
The InChIKey is XKRDFVVBBDOPEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c1-2-6(9-13)3(10)7-5(12)8-4(6)11/h9,13H,2H2,1H3,(H2,7,8,10,11,12).
What are the key properties of 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione?
5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione has a molecular weight of 187.15 g/mol, XLogP of -1.52, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-(hydroxyamino)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 102004268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).