3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one

C18H23N5O2 — CID 129007562

IUPAC3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one
SMILESCCn1cnnc1C1CN(C2CCN(c3ccccc3)C2=O)CCO1
InChIInChI=1S/C18H23N5O2/c1-2-21-13-19-20-17(21)16-12-22(10-11-25-16)15-8-9-23(18(15)24)14-6-4-3-5-7-14/h3-7,13,15-16H,2,8-12H2,1H3
InChIKeyJITOOMSLUXOLOR-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.48
Rot. Bonds4

About 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one

3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one (PubChem CID 129007562) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one
PubChem CID129007562
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC Name3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one
SMILESCCn1cnnc1C1CN(C2CCN(c3ccccc3)C2=O)CCO1
InChIInChI=1S/C18H23N5O2/c1-2-21-13-19-20-17(21)16-12-22(10-11-25-16)15-8-9-23(18(15)24)14-6-4-3-5-7-14/h3-7,13,15-16H,2,8-12H2,1H3
InChIKeyJITOOMSLUXOLOR-UHFFFAOYSA-N
XLogP1.48
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-cyclopropyl-1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-phenylethanone
CID 129334593
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(1R)-7-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl]morpholine
CID 129337676
2-(4-ethyl-1,2,4-triazol-3-yl)-4-[(E)-2-methyl-3-phenylprop-2-enyl]morpholine
CID 128996126
2-(4-ethyl-1,2,4-triazol-3-yl)-4-pyridin-2-ylmorpholine
CID 126807770
4-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]benzonitrile
CID 128998417
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-[[(2R)-1,2,3,4-tetrahydronaphthalen-2-yl]methyl]morpholine
CID 129342975
1-[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-2-indazol-1-ylethanone
CID 129332693
3-[4-[(4-methyl-1,2,4-triazol-3-yl)methyl]piperidin-1-yl]-1-phenylpyrrolidin-2-one
CID 154868718
(2R)-2-(4-ethyl-1,2,4-triazol-3-yl)-4-(thiophen-2-ylmethyl)morpholine
CID 129344159
[(2S)-2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-isoquinolin-1-ylmethanone
CID 129329703
3-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-1-phenylpyrrolidin-2-one
CID 110020226
1-benzofuran-2-yl-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129006400

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one (CID 129007562) is 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one is CCn1cnnc1C1CN(C2CCN(c3ccccc3)C2=O)CCO1.
What is the InChIKey of 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one?
The InChIKey is JITOOMSLUXOLOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-2-21-13-19-20-17(21)16-12-22(10-11-25-16)15-8-9-23(18(15)24)14-6-4-3-5-7-14/h3-7,13,15-16H,2,8-12H2,1H3.
What are the key properties of 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one?
3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one has a molecular weight of 341.42 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 129007562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).