1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one

C17H21ClN4O3 — CID 72867955

IUPAC1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1nc(COc2ccccc2Cl)nn1CCO
InChIInChI=1S/C17H21ClN4O3/c18-13-4-1-2-5-14(13)25-12-15-19-16(22(20-15)10-11-23)7-9-21-8-3-6-17(21)24/h1-2,4-5,23H,3,6-12H2
InChIKeyDHAYTJBFNKDOEP-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.67
Rot. Bonds8

About 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one

1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one (PubChem CID 72867955) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one
PubChem CID72867955
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC Name1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one
SMILESO=C1CCCN1CCc1nc(COc2ccccc2Cl)nn1CCO
InChIInChI=1S/C17H21ClN4O3/c18-13-4-1-2-5-14(13)25-12-15-19-16(22(20-15)10-11-23)7-9-21-8-3-6-17(21)24/h1-2,4-5,23H,3,6-12H2
InChIKeyDHAYTJBFNKDOEP-UHFFFAOYSA-N
XLogP1.67
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one 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 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one (CID 72867955) is 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one is O=C1CCCN1CCc1nc(COc2ccccc2Cl)nn1CCO.
What is the InChIKey of 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one?
The InChIKey is DHAYTJBFNKDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O3/c18-13-4-1-2-5-14(13)25-12-15-19-16(22(20-15)10-11-23)7-9-21-8-3-6-17(21)24/h1-2,4-5,23H,3,6-12H2.
What are the key properties of 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one?
1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one has a molecular weight of 364.83 g/mol, XLogP of 1.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[(2-chlorophenoxy)methyl]-2-(2-hydroxyethyl)-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one is sourced from PubChem (CID 72867955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).