sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride

C11H22N3NaO3 — CID 173189640

IUPACsodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
SMILESCCCC(C)C1(CC)C(=O)NC(=O)NC1=O.N.[H-].[Na+]
InChIInChI=1S/C11H18N2O3.H3N.Na.H/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;;;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);1H3;;/q;;+1;-1
InChIKeyZDXGMRTWHRPFPZ-UHFFFAOYSA-N
MW267.30 g/mol
LogP-1.54
Rot. Bonds4

About sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride

sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride (PubChem CID 173189640) has the molecular formula C11H22N3NaO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride.

Molecular Properties

Compound Namesodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
PubChem CID173189640
Molecular FormulaC11H22N3NaO3
Molecular Weight267.30 g/mol
Exact Mass267.16
IUPAC Namesodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride
SMILESCCCC(C)C1(CC)C(=O)NC(=O)NC1=O.N.[H-].[Na+]
InChIInChI=1S/C11H18N2O3.H3N.Na.H/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;;;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);1H3;;/q;;+1;-1
InChIKeyZDXGMRTWHRPFPZ-UHFFFAOYSA-N
XLogP-1.54
TPSA110.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-ethyl-6-imino-5-[(2S)-pentan-2-yl]-1,3-diazinane-2,4-dione
CID 135564835
sodium;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;pyridine;acetate
CID 173426943
sodium 5-ethyl-5-[(2R)-pentan-2-yl]pyrimidin-3-ide-2,4,6-trione
CID 23692753
CID 71308385
CID 71308385
sodium 5-ethyl-4,6-dioxo-5-[(2R)-pentan-2-yl]-1H-pyrimidin-2-olate
CID 23719972
sodium;azane;ethanol;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
CID 70363119
5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidine-2-thiolate
CID 3867239
5-ethyl-2-(4-fluorophenyl)imino-5-[(2R)-pentan-2-yl]-1,3-diazinane-4,6-dione
CID 135571219
sodium;hydride;5-pentan-2-yl-5-prop-2-enyl-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 172995594
2-(4-chlorophenyl)imino-5-ethyl-5-[(2S)-pentan-2-yl]-1,3-diazinane-4,6-dione
CID 135571218
sodium;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate;2-methylprop-2-enoic acid
CID 67062371
sodium;cyclopentanone;5-ethyl-4,6-dioxo-5-pentan-2-yl-1H-pyrimidin-2-olate
CID 69041029

Frequently Asked Questions

What is the IUPAC name of sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride?
The IUPAC name of sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride (CID 173189640) is sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride.
What is the SMILES notation for sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride?
The canonical SMILES for sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride is CCCC(C)C1(CC)C(=O)NC(=O)NC1=O.N.[H-].[Na+].
What is the InChIKey of sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride?
The InChIKey is ZDXGMRTWHRPFPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.H3N.Na.H/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15;;;/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16);1H3;;/q;;+1;-1.
What are the key properties of sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride?
sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride has a molecular weight of 267.30 g/mol, XLogP of -1.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;azane;5-ethyl-5-pentan-2-yl-1,3-diazinane-2,4,6-trione;hydride is sourced from PubChem (CID 173189640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).