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

C10H16N2O3 — CID 19783125

IUPAC1,5-dipropyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-7-8(13)11-10(15)12(6-4-2)9(7)14/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyXKRGMKDJYKNKKP-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.89
Rot. Bonds4

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

1,5-dipropyl-1,3-diazinane-2,4,6-trione (PubChem CID 19783125) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,5-dipropyl-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,5-dipropyl-1,3-diazinane-2,4,6-trione
PubChem CID19783125
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Name1,5-dipropyl-1,3-diazinane-2,4,6-trione
SMILESCCCC1C(=O)NC(=O)N(CCC)C1=O
InChIInChI=1S/C10H16N2O3/c1-3-5-7-8(13)11-10(15)12(6-4-2)9(7)14/h7H,3-6H2,1-2H3,(H,11,13,15)
InChIKeyXKRGMKDJYKNKKP-UHFFFAOYSA-N
XLogP0.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,5-dipropyl-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,5-dipropyl-1,3-diazinane-2,4,6-trione (CID 19783125) is 1,5-dipropyl-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,5-dipropyl-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,5-dipropyl-1,3-diazinane-2,4,6-trione is CCCC1C(=O)NC(=O)N(CCC)C1=O.
What is the InChIKey of 1,5-dipropyl-1,3-diazinane-2,4,6-trione?
The InChIKey is XKRGMKDJYKNKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O3/c1-3-5-7-8(13)11-10(15)12(6-4-2)9(7)14/h7H,3-6H2,1-2H3,(H,11,13,15).
What are the key properties of 1,5-dipropyl-1,3-diazinane-2,4,6-trione?
1,5-dipropyl-1,3-diazinane-2,4,6-trione has a molecular weight of 212.25 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dipropyl-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 19783125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).