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

C7H11N3O4 — CID 118541138

IUPAC5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H11N3O4/c1-2-3-7(10-14)4(11)8-6(13)9-5(7)12/h10,14H,2-3H2,1H3,(H2,8,9,11,12,13)
InChIKeyYXGFVQRNTNVSFE-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.13
Rot. Bonds3

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

5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione (PubChem CID 118541138) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione
PubChem CID118541138
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1(NO)C(=O)NC(=O)NC1=O
InChIInChI=1S/C7H11N3O4/c1-2-3-7(10-14)4(11)8-6(13)9-5(7)12/h10,14H,2-3H2,1H3,(H2,8,9,11,12,13)
InChIKeyYXGFVQRNTNVSFE-UHFFFAOYSA-N
XLogP-1.13
TPSA107.53 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.13
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-propyl-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-propyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione (CID 118541138) is 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione is CCCC1(NO)C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione?
The InChIKey is YXGFVQRNTNVSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c1-2-3-7(10-14)4(11)8-6(13)9-5(7)12/h10,14H,2-3H2,1H3,(H2,8,9,11,12,13).
What are the key properties of 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione?
5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione has a molecular weight of 201.18 g/mol, XLogP of -1.13, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-5-propyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 118541138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).