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

C7H12N4O2 — CID 78927633

IUPAC2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCCOCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C7H12N4O2/c1-3-13-4-6(12)9-7-8-5(2)10-11-7/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyISDGVDJTJSYVAF-UHFFFAOYSA-N
MW184.20 g/mol
LogP0.09
Rot. Bonds4

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

2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (PubChem CID 78927633) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound Name2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
PubChem CID78927633
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
SMILESCCOCC(=O)Nc1n[nH]c(C)n1
InChIInChI=1S/C7H12N4O2/c1-3-13-4-6(12)9-7-8-5(2)10-11-7/h3-4H2,1-2H3,(H2,8,9,10,11,12)
InChIKeyISDGVDJTJSYVAF-UHFFFAOYSA-N
XLogP0.09
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927542
ethyl 2-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]-2-oxoacetate
CID 110471089
2-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78928166
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-propan-2-ylsulfanylacetamide
CID 78928156
2-ethoxy-N-(4-methylpyrimidin-2-yl)acetamide
CID 7336905
N-(5-methyl-1H-1,2,4-triazol-3-yl)-3-oxo-3-phenylpropanamide
CID 110473163
2-(4-aminophenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 110472728
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide
CID 78927640
3-(4-methoxyphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927671
3-(4-methylphenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)propanamide
CID 78927615
3,4-diethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 78928120
2,3-dimethyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78958095

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide (CID 78927633) is 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is CCOCC(=O)Nc1n[nH]c(C)n1.
What is the InChIKey of 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
The InChIKey is ISDGVDJTJSYVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-13-4-6(12)9-7-8-5(2)10-11-7/h3-4H2,1-2H3,(H2,8,9,10,11,12).
What are the key properties of 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide?
2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide has a molecular weight of 184.20 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-(5-methyl-1H-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 78927633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).