N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

C9H13N5O3 — CID 112531407

IUPACN-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C9H13N5O3/c1-6(15)11-8-2-10-14(12-8)5-9(17)13-3-7(16)4-13/h2,7,16H,3-5H2,1H3,(H,11,12,15)
InChIKeyIYPDFAJGFRMKLN-UHFFFAOYSA-N
MW239.23 g/mol
LogP-1.56
Rot. Bonds3

About N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide

N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112531407) has the molecular formula C9H13N5O3 and a molecular weight of 239.23 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112531407
Molecular FormulaC9H13N5O3
Molecular Weight239.23 g/mol
Exact Mass239.10
IUPAC NameN-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1
InChIInChI=1S/C9H13N5O3/c1-6(15)11-8-2-10-14(12-8)5-9(17)13-3-7(16)4-13/h2,7,16H,3-5H2,1H3,(H,11,12,15)
InChIKeyIYPDFAJGFRMKLN-UHFFFAOYSA-N
XLogP-1.56
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112531407) is N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)N2CC(O)C2)n1.
What is the InChIKey of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is IYPDFAJGFRMKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O3/c1-6(15)11-8-2-10-14(12-8)5-9(17)13-3-7(16)4-13/h2,7,16H,3-5H2,1H3,(H,11,12,15).
What are the key properties of N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 239.23 g/mol, XLogP of -1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112531407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).