2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

C8H10N6O4 — CID 83101328

IUPAC2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN2C(=O)CNC2=O)n1
InChIInChI=1S/C8H10N6O4/c1-18-7-11-6(12-13-7)10-4(15)3-14-5(16)2-9-8(14)17/h2-3H2,1H3,(H,9,17)(H2,10,11,12,13,15)
InChIKeyBMYCVUFLXDHKRK-UHFFFAOYSA-N
MW254.21 g/mol
LogP-1.70
Rot. Bonds4

About 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide

2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 83101328) has the molecular formula C8H10N6O4 and a molecular weight of 254.21 g/mol. Its IUPAC name is 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
PubChem CID83101328
Molecular FormulaC8H10N6O4
Molecular Weight254.21 g/mol
Exact Mass254.08
IUPAC Name2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN2C(=O)CNC2=O)n1
InChIInChI=1S/C8H10N6O4/c1-18-7-11-6(12-13-7)10-4(15)3-14-5(16)2-9-8(14)17/h2-3H2,1H3,(H,9,17)(H2,10,11,12,13,15)
InChIKeyBMYCVUFLXDHKRK-UHFFFAOYSA-N
XLogP-1.70
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.21
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide (CID 83101328) is 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is COc1n[nH]c(NC(=O)CN2C(=O)CNC2=O)n1.
What is the InChIKey of 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is BMYCVUFLXDHKRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O4/c1-18-7-11-6(12-13-7)10-4(15)3-14-5(16)2-9-8(14)17/h2-3H2,1H3,(H,9,17)(H2,10,11,12,13,15).
What are the key properties of 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide?
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 254.21 g/mol, XLogP of -1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 83101328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).