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

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Related Compounds

1-[2-[5-[(2,6-dichlorophenyl)methyl]-2-ethyl-1,2,4-triazol-3-yl]ethyl]pyrrolidin-2-one
CID 72883681
[5-[(2-chlorophenoxy)methyl]-2-methyl-1,2,4-triazol-3-yl]methanamine
CID 82481637
1-[2-[2-ethyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]ethyl]azepan-2-one
CID 72869798
arsane;1-(2-hydroxyethyl)pyrrolidin-2-one
CID 174911308
1-[2-[5-cyclopropyl-2-(2-phenylethyl)-1,2,4-triazol-3-yl]ethyl]azepan-2-one
CID 131914682
2-[5-[(2-chlorophenoxy)methyl]-1-methyl-1,2,4-triazol-3-yl]ethanamine
CID 96667157
1-[2-(2-acetylphenoxy)ethyl]pyrrolidin-2-one
CID 62019351
1-[2-[2-[(1R)-1-amino-2-hydroxyethyl]phenoxy]ethyl]pyrrolidin-2-one
CID 66515853
1-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-3-oxopropyl]azepan-2-one
CID 70756717
4-chloro-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxylic acid
CID 19618765
1-[2-[2-(aminomethyl)phenoxy]ethyl]piperidin-2-one
CID 43253927
1-[2-[2-(3-aminopropyl)phenoxy]ethyl]pyrrolidin-2-one
CID 170879211

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).