2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

C11H16N6O3 — CID 103741600

IUPAC2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ncn[nH]1
InChIInChI=1S/C11H16N6O3/c1-6(8-12-5-13-16-8)14-7(18)4-17-9(19)11(2,3)15-10(17)20/h5-6H,4H2,1-3H3,(H,14,18)(H,15,20)(H,12,13,16)
InChIKeyUOCDQHOGNIBKTK-UHFFFAOYSA-N
MW280.29 g/mol
LogP-0.69
Rot. Bonds4

About 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (PubChem CID 103741600) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
PubChem CID103741600
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide
SMILESCC(NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ncn[nH]1
InChIInChI=1S/C11H16N6O3/c1-6(8-12-5-13-16-8)14-7(18)4-17-9(19)11(2,3)15-10(17)20/h5-6H,4H2,1-3H3,(H,14,18)(H,15,20)(H,12,13,16)
InChIKeyUOCDQHOGNIBKTK-UHFFFAOYSA-N
XLogP-0.69
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 5-0.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(1R)-1-phenylethyl]acetamide
CID 7266427
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(1-phenylethyl)acetamide
CID 51139063
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-pentan-3-ylacetamide
CID 7181981
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2R)-1-hydroxypropan-2-yl]acetamide
CID 79028054
3-oxo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 106282693
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-4-methylpentanoic acid
CID 43241577
(2S)-2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 61173447
2-[[2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467388
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[(2S)-3-methyl-3-phenylbutan-2-yl]acetamide
CID 95159656
3-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 103815068
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]nonanamide
CID 103722955
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 47009609

Frequently Asked Questions

What is the IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide (CID 103741600) is 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is CC(NC(=O)CN1C(=O)NC(C)(C)C1=O)c1ncn[nH]1.
What is the InChIKey of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
The InChIKey is UOCDQHOGNIBKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-6(8-12-5-13-16-8)14-7(18)4-17-9(19)11(2,3)15-10(17)20/h5-6H,4H2,1-3H3,(H,14,18)(H,15,20)(H,12,13,16).
What are the key properties of 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide?
2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide has a molecular weight of 280.29 g/mol, XLogP of -0.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 103741600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).