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

C10H15N5O3 — CID 112531417

IUPACN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C10H15N5O3/c1-2-9(17)11-8-5-15(13-12-8)6-10(18)14-3-7(16)4-14/h5,7,16H,2-4,6H2,1H3,(H,11,17)
InChIKeyOYTSWGYHRYRJFP-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.17
Rot. Bonds4

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

N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (PubChem CID 112531417) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.

Molecular Properties

Compound NameN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
PubChem CID112531417
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC NameN-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide
SMILESCCC(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1
InChIInChI=1S/C10H15N5O3/c1-2-9(17)11-8-5-15(13-12-8)6-10(18)14-3-7(16)4-14/h5,7,16H,2-4,6H2,1H3,(H,11,17)
InChIKeyOYTSWGYHRYRJFP-UHFFFAOYSA-N
XLogP-1.17
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The IUPAC name of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide (CID 112531417) is N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide.
What is the SMILES notation for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The canonical SMILES for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide is CCC(=O)Nc1cn(CC(=O)N2CC(O)C2)nn1.
What is the InChIKey of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
The InChIKey is OYTSWGYHRYRJFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-2-9(17)11-8-5-15(13-12-8)6-10(18)14-3-7(16)4-14/h5,7,16H,2-4,6H2,1H3,(H,11,17).
What are the key properties of N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide?
N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide has a molecular weight of 253.26 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]triazol-4-yl]propanamide is sourced from PubChem (CID 112531417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).