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

C9H12N6O4 — CID 83101332

IUPACN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN2C(=O)CN(C)C2=O)n1
InChIInChI=1S/C9H12N6O4/c1-14-4-6(17)15(9(14)18)3-5(16)10-7-11-8(19-2)13-12-7/h3-4H2,1-2H3,(H2,10,11,12,13,16)
InChIKeyAARCPRXSPTZAGY-UHFFFAOYSA-N
MW268.23 g/mol
LogP-1.35
Rot. Bonds4

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

N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (PubChem CID 83101332) has the molecular formula C9H12N6O4 and a molecular weight of 268.23 g/mol. Its IUPAC name is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
PubChem CID83101332
Molecular FormulaC9H12N6O4
Molecular Weight268.23 g/mol
Exact Mass268.09
IUPAC NameN-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide
SMILESCOc1n[nH]c(NC(=O)CN2C(=O)CN(C)C2=O)n1
InChIInChI=1S/C9H12N6O4/c1-14-4-6(17)15(9(14)18)3-5(16)10-7-11-8(19-2)13-12-7/h3-4H2,1-2H3,(H2,10,11,12,13,16)
InChIKeyAARCPRXSPTZAGY-UHFFFAOYSA-N
XLogP-1.35
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
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 N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The IUPAC name of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide (CID 83101332) is N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide.
What is the SMILES notation for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The canonical SMILES for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is COc1n[nH]c(NC(=O)CN2C(=O)CN(C)C2=O)n1.
What is the InChIKey of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
The InChIKey is AARCPRXSPTZAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O4/c1-14-4-6(17)15(9(14)18)3-5(16)10-7-11-8(19-2)13-12-7/h3-4H2,1-2H3,(H2,10,11,12,13,16).
What are the key properties of N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide?
N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide has a molecular weight of 268.23 g/mol, XLogP of -1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1H-1,2,4-triazol-5-yl)-2-(3-methyl-2,5-dioxoimidazolidin-1-yl)acetamide is sourced from PubChem (CID 83101332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).