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

C9H15N3O4 — CID 118541175

IUPAC5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)C1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O4/c1-3-4-5(2)9(12-16)6(13)10-8(15)11-7(9)14/h5,12,16H,3-4H2,1-2H3,(H2,10,11,13,14,15)
InChIKeyPNVNGAOYMGZNLN-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.49
Rot. Bonds4

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

5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione (PubChem CID 118541175) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
PubChem CID118541175
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione
SMILESCCCC(C)C1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C9H15N3O4/c1-3-4-5(2)9(12-16)6(13)10-8(15)11-7(9)14/h5,12,16H,3-4H2,1-2H3,(H2,10,11,13,14,15)
InChIKeyPNVNGAOYMGZNLN-UHFFFAOYSA-N
XLogP-0.49
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.49
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'}

Analyze 5-(hydroxyamino)-5-pentan-2-yl-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-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione (CID 118541175) is 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione is CCCC(C)C1(NO)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
The InChIKey is PNVNGAOYMGZNLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-3-4-5(2)9(12-16)6(13)10-8(15)11-7(9)14/h5,12,16H,3-4H2,1-2H3,(H2,10,11,13,14,15).
What are the key properties of 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione?
5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione has a molecular weight of 229.24 g/mol, XLogP of -0.49, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-5-pentan-2-yl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 118541175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).