2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

C9H16N4O2 — CID 61217144

IUPAC2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCOCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C9H16N4O2/c1-4-15-5-8(14)11-7(2)9-12-10-6-13(9)3/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyVKNWTSJMLTVAEH-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.03
Rot. Bonds5

About 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide

2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 61217144) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID61217144
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCCOCC(=O)NC(C)c1nncn1C
InChIInChI=1S/C9H16N4O2/c1-4-15-5-8(14)11-7(2)9-12-10-6-13(9)3/h6-7H,4-5H2,1-3H3,(H,11,14)
InChIKeyVKNWTSJMLTVAEH-UHFFFAOYSA-N
XLogP0.03
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide (CID 61217144) is 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is CCOCC(=O)NC(C)c1nncn1C.
What is the InChIKey of 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is VKNWTSJMLTVAEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-4-15-5-8(14)11-7(2)9-12-10-6-13(9)3/h6-7H,4-5H2,1-3H3,(H,11,14).
What are the key properties of 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide?
2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 212.25 g/mol, XLogP of 0.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 61217144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).