1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione

C6H8N2O4 — CID 18981215

IUPAC1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCO)C(=O)N1
InChIInChI=1S/C6H8N2O4/c9-2-1-8-5(11)3-4(10)7-6(8)12/h9H,1-3H2,(H,7,10,12)
InChIKeyYHXWCFVKTYVFSB-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.55
Rot. Bonds2

About 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione

1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 18981215) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione
PubChem CID18981215
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione
SMILESO=C1CC(=O)N(CCO)C(=O)N1
InChIInChI=1S/C6H8N2O4/c9-2-1-8-5(11)3-4(10)7-6(8)12/h9H,1-3H2,(H,7,10,12)
InChIKeyYHXWCFVKTYVFSB-UHFFFAOYSA-N
XLogP-1.55
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.14
LogP ≤ 5-1.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2-hydroxyethyl)-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 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione (CID 18981215) is 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione is O=C1CC(=O)N(CCO)C(=O)N1.
What is the InChIKey of 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is YHXWCFVKTYVFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c9-2-1-8-5(11)3-4(10)7-6(8)12/h9H,1-3H2,(H,7,10,12).
What are the key properties of 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione?
1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 172.14 g/mol, XLogP of -1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 18981215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).