5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride

C8H13ClN2O3 — CID 22163315

IUPAC5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCCC1(CC)C(=O)NC(=O)NC1=O.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);1H
InChIKeySACKVYGWWZDWQS-UHFFFAOYSA-N
MW220.66 g/mol
LogP0.58
Rot. Bonds2

About 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride

5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride (PubChem CID 22163315) has the molecular formula C8H13ClN2O3 and a molecular weight of 220.66 g/mol. Its IUPAC name is 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride.

Molecular Properties

Compound Name5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
PubChem CID22163315
Molecular FormulaC8H13ClN2O3
Molecular Weight220.66 g/mol
Exact Mass220.06
IUPAC Name5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride
SMILESCCC1(CC)C(=O)NC(=O)NC1=O.Cl
InChIInChI=1S/C8H12N2O3.ClH/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);1H
InChIKeySACKVYGWWZDWQS-UHFFFAOYSA-N
XLogP0.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-ethyl-5-(3-methylbutyl)-1,3-diazinane-2,4,6-trione;hydrofluoride
CID 70470534
5-(3-aminopropyl)-5-ethyl-1,3-diazinane-2,4,6-trione
CID 19911803
sodium;5,5-diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione;hydride
CID 173031111
5,5-diethyl-1,3-diazinane-4,6-dione
CID 130004864
5-ethyl-6-imino-5-propyl-1,3-diazinane-2,4-dione
CID 138111717
5-ethyl-5-(2-ethyl-5-methylhexyl)-1,3-diazinane-2,4,6-trione
CID 3050733
5,5-dihexyl-1,3-diazinane-2,4,6-trione
CID 15536734
CID 131883127
CID 131883127
5-(butylsulfanylmethyl)-5-propyl-1,3-diazinane-2,4,6-trione
CID 23622371
5-ethyl-5-[(6-(18F)fluoro-3-pyridinyl)methyl]-1,3-diazinane-2,4,6-trione
CID 71536911
5-ethyl-5-[(2-phenylethylamino)methyl]-1,3-diazinane-2,4,6-trione
CID 144553239
(2R)-2-ethyl-2-methyl-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 129452353

Frequently Asked Questions

What is the IUPAC name of 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The IUPAC name of 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride (CID 22163315) is 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride.
What is the SMILES notation for 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The canonical SMILES for 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride is CCC1(CC)C(=O)NC(=O)NC1=O.Cl.
What is the InChIKey of 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
The InChIKey is SACKVYGWWZDWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O3.ClH/c1-3-8(4-2)5(11)9-7(13)10-6(8)12;/h3-4H2,1-2H3,(H2,9,10,11,12,13);1H.
What are the key properties of 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride?
5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride has a molecular weight of 220.66 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diethyl-1,3-diazinane-2,4,6-trione;hydrochloride is sourced from PubChem (CID 22163315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).