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

C8H14N4O2 — CID 103884853

IUPAC2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1ncn(C)n1
InChIInChI=1S/C8H14N4O2/c1-3-14-5-8(13)9-4-7-10-6-12(2)11-7/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyAJOKINJSHJGFEN-UHFFFAOYSA-N
MW198.23 g/mol
LogP-0.53
Rot. Bonds5

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

2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 103884853) has the molecular formula C8H14N4O2 and a molecular weight of 198.23 g/mol. Its IUPAC name is 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID103884853
Molecular FormulaC8H14N4O2
Molecular Weight198.23 g/mol
Exact Mass198.11
IUPAC Name2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCCOCC(=O)NCc1ncn(C)n1
InChIInChI=1S/C8H14N4O2/c1-3-14-5-8(13)9-4-7-10-6-12(2)11-7/h6H,3-5H2,1-2H3,(H,9,13)
InChIKeyAJOKINJSHJGFEN-UHFFFAOYSA-N
XLogP-0.53
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-0.53
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-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide (CID 103884853) is 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide is CCOCC(=O)NCc1ncn(C)n1.
What is the InChIKey of 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is AJOKINJSHJGFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2/c1-3-14-5-8(13)9-4-7-10-6-12(2)11-7/h6H,3-5H2,1-2H3,(H,9,13).
What are the key properties of 2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide?
2-ethoxy-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 198.23 g/mol, XLogP of -0.53, 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-methyl-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 103884853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).