N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide

C9H14N4O4 — CID 129043640

IUPACN-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide
SMILESCC(=O)N(OCc1cn(CCO)nn1)C(C)=O
InChIInChI=1S/C9H14N4O4/c1-7(15)13(8(2)16)17-6-9-5-12(3-4-14)11-10-9/h5,14H,3-4,6H2,1-2H3
InChIKeyBDVYTKQLEJHFEW-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.90
Rot. Bonds5

About N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide

N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide (PubChem CID 129043640) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide.

Molecular Properties

Compound NameN-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide
PubChem CID129043640
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC NameN-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide
SMILESCC(=O)N(OCc1cn(CCO)nn1)C(C)=O
InChIInChI=1S/C9H14N4O4/c1-7(15)13(8(2)16)17-6-9-5-12(3-4-14)11-10-9/h5,14H,3-4,6H2,1-2H3
InChIKeyBDVYTKQLEJHFEW-UHFFFAOYSA-N
XLogP-0.90
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide?
The IUPAC name of N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide (CID 129043640) is N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide.
What is the SMILES notation for N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide?
The canonical SMILES for N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide is CC(=O)N(OCc1cn(CCO)nn1)C(C)=O.
What is the InChIKey of N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide?
The InChIKey is BDVYTKQLEJHFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-7(15)13(8(2)16)17-6-9-5-12(3-4-14)11-10-9/h5,14H,3-4,6H2,1-2H3.
What are the key properties of N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide?
N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide has a molecular weight of 242.23 g/mol, XLogP of -0.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-[[1-(2-hydroxyethyl)triazol-4-yl]methoxy]acetamide is sourced from PubChem (CID 129043640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).