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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Related Compounds

1-[1-(2-hydroxyethyl)triazol-4-yl]propan-2-one
CID 166119284
3-[[1-[2-(dimethylamino)ethyl]triazol-4-yl]methoxy]propan-1-ol
CID 165456647
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N,N-dimethylacetamide
CID 66270736
2-[4-[[bis[(1-tert-butyltriazol-4-yl)methyl]amino]methyl]triazol-1-yl]ethanol
CID 66749153
4-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(1-pentyltriazol-4-yl)methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138737681
2-(4-methyltriazol-1-yl)ethanol
CID 66634666
3-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-2,2-dimethylpropanamide
CID 114167058
4-[1-(3-oxobutyl)triazol-4-yl]butan-2-one
CID 58003253
4-[[1-(2-ethoxyethyl)triazol-4-yl]methoxy]-2,2-dimethylbutanoic acid
CID 163968135
ethyl 5-[4-(acetyloxymethyl)triazol-1-yl]pentanoate
CID 71503779
2-[[1-(2-hydroxyethyl)triazol-4-yl]methylamino]-N-propylacetamide
CID 66269035
4-[2-[2-[2-[2-[2-[2-[2-[[1-(5-methylhexyl)triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]butan-2-one
CID 138710009

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).