2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

C8H10N6O3 — CID 54884900

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1ncn[nH]1
InChIInChI=1S/C8H10N6O3/c15-6(9-1-5-11-4-12-13-5)3-14-7(16)2-10-8(14)17/h4H,1-3H2,(H,9,15)(H,10,17)(H,11,12,13)
InChIKeyMVTXLXYPVVUVOX-UHFFFAOYSA-N
MW238.21 g/mol
LogP-2.03
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (PubChem CID 54884900) has the molecular formula C8H10N6O3 and a molecular weight of 238.21 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
PubChem CID54884900
Molecular FormulaC8H10N6O3
Molecular Weight238.21 g/mol
Exact Mass238.08
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
SMILESO=C(CN1C(=O)CNC1=O)NCc1ncn[nH]1
InChIInChI=1S/C8H10N6O3/c15-6(9-1-5-11-4-12-13-5)3-14-7(16)2-10-8(14)17/h4H,1-3H2,(H,9,15)(H,10,17)(H,11,12,13)
InChIKeyMVTXLXYPVVUVOX-UHFFFAOYSA-N
XLogP-2.03
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 5-2.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide (CID 54884900) is 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is O=C(CN1C(=O)CNC1=O)NCc1ncn[nH]1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
The InChIKey is MVTXLXYPVVUVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O3/c15-6(9-1-5-11-4-12-13-5)3-14-7(16)2-10-8(14)17/h4H,1-3H2,(H,9,15)(H,10,17)(H,11,12,13).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide has a molecular weight of 238.21 g/mol, XLogP of -2.03, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide is sourced from PubChem (CID 54884900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).