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

C10H15N5O3 — CID 112530715

IUPACN-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)N2CCC(O)C2)n1
InChIInChI=1S/C10H15N5O3/c1-7(16)12-9-4-11-15(13-9)6-10(18)14-3-2-8(17)5-14/h4,8,17H,2-3,5-6H2,1H3,(H,12,13,16)
InChIKeyCFMSPVLCDFLXQZ-UHFFFAOYSA-N
MW253.26 g/mol
LogP-1.17
Rot. Bonds3

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

N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (PubChem CID 112530715) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
PubChem CID112530715
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC NameN-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide
SMILESCC(=O)Nc1cnn(CC(=O)N2CCC(O)C2)n1
InChIInChI=1S/C10H15N5O3/c1-7(16)12-9-4-11-15(13-9)6-10(18)14-3-2-8(17)5-14/h4,8,17H,2-3,5-6H2,1H3,(H,12,13,16)
InChIKeyCFMSPVLCDFLXQZ-UHFFFAOYSA-N
XLogP-1.17
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
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

Analyze N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The IUPAC name of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide (CID 112530715) is N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide.
What is the SMILES notation for N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The canonical SMILES for N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is CC(=O)Nc1cnn(CC(=O)N2CCC(O)C2)n1.
What is the InChIKey of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
The InChIKey is CFMSPVLCDFLXQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-7(16)12-9-4-11-15(13-9)6-10(18)14-3-2-8(17)5-14/h4,8,17H,2-3,5-6H2,1H3,(H,12,13,16).
What are the key properties of N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide?
N-[2-[2-(3-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide has a molecular weight of 253.26 g/mol, XLogP of -1.17, 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-hydroxypyrrolidin-1-yl)-2-oxoethyl]triazol-4-yl]acetamide is sourced from PubChem (CID 112530715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).