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

C6H8N2O4 — CID 165356464

IUPAC5-ethoxy-1,3-diazinane-2,4,6-trione
SMILESCCOC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-2-12-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyJJZQSCQZHVCVOQ-UHFFFAOYSA-N
MW172.14 g/mol
LogP-1.24
Rot. Bonds2

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

5-ethoxy-1,3-diazinane-2,4,6-trione (PubChem CID 165356464) has the molecular formula C6H8N2O4 and a molecular weight of 172.14 g/mol. Its IUPAC name is 5-ethoxy-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-ethoxy-1,3-diazinane-2,4,6-trione
PubChem CID165356464
Molecular FormulaC6H8N2O4
Molecular Weight172.14 g/mol
Exact Mass172.05
IUPAC Name5-ethoxy-1,3-diazinane-2,4,6-trione
SMILESCCOC1C(=O)NC(=O)NC1=O
InChIInChI=1S/C6H8N2O4/c1-2-12-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11)
InChIKeyJJZQSCQZHVCVOQ-UHFFFAOYSA-N
XLogP-1.24
TPSA84.50 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 ≤ 5-1.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-ethoxy-1,3-diazinane-2,4,6-trione (CID 165356464) is 5-ethoxy-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-ethoxy-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-ethoxy-1,3-diazinane-2,4,6-trione is CCOC1C(=O)NC(=O)NC1=O.
What is the InChIKey of 5-ethoxy-1,3-diazinane-2,4,6-trione?
The InChIKey is JJZQSCQZHVCVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O4/c1-2-12-3-4(9)7-6(11)8-5(3)10/h3H,2H2,1H3,(H2,7,8,9,10,11).
What are the key properties of 5-ethoxy-1,3-diazinane-2,4,6-trione?
5-ethoxy-1,3-diazinane-2,4,6-trione has a molecular weight of 172.14 g/mol, XLogP of -1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 165356464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).