1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one

C17H19N5O3 — CID 47778264

IUPAC1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCC(=O)N2CCCn3ncnc32)cc1
InChIInChI=1S/C17H19N5O3/c23-15-3-1-8-20(15)13-4-6-14(7-5-13)25-11-16(24)21-9-2-10-22-17(21)18-12-19-22/h4-7,12H,1-3,8-11H2
InChIKeyJUCVYCZDXSOUFN-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.22
Rot. Bonds4

About 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one

1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one (PubChem CID 47778264) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
PubChem CID47778264
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
SMILESO=C1CCCN1c1ccc(OCC(=O)N2CCCn3ncnc32)cc1
InChIInChI=1S/C17H19N5O3/c23-15-3-1-8-20(15)13-4-6-14(7-5-13)25-11-16(24)21-9-2-10-22-17(21)18-12-19-22/h4-7,12H,1-3,8-11H2
InChIKeyJUCVYCZDXSOUFN-UHFFFAOYSA-N
XLogP1.22
TPSA80.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43351519
1-[4-[2-[4-(ethylaminomethyl)piperidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 119646587
phenyl 2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetate
CID 27444483
N-(3-methylbutan-2-yl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 51228621
1-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]piperidine-2-carboxylic acid
CID 119137800
1-[4-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]ethoxy]phenyl]pyrrolidin-2-one
CID 55429669
1-[4-[2-(4-propanoylphenoxy)acetyl]phenyl]pyrrolidin-2-one
CID 8650952
1-[4-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one;hydrochloride
CID 119633021
N'-(4-fluorophenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetohydrazide
CID 71901454
N-(3,5-dimethylphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetamide
CID 26685964
1-[4-[2-(1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 47025602
1-[4-[2-[(1S)-1-methyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-oxoethoxy]phenyl]pyrrolidin-2-one
CID 37447954

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The IUPAC name of 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one (CID 47778264) is 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The canonical SMILES for 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one is O=C1CCCN1c1ccc(OCC(=O)N2CCCn3ncnc32)cc1.
What is the InChIKey of 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
The InChIKey is JUCVYCZDXSOUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-15-3-1-8-20(15)13-4-6-14(7-5-13)25-11-16(24)21-9-2-10-22-17(21)18-12-19-22/h4-7,12H,1-3,8-11H2.
What are the key properties of 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one?
1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one has a molecular weight of 341.37 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-4-yl)-2-oxoethoxy]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 47778264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).