4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

C21H28N4O2 — CID 72897485

IUPAC4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(c2nc(-c3ccccc3)nn2C2CCCCC2)CC1=O
InChIInChI=1S/C21H28N4O2/c1-27-13-12-24-15-17(14-19(24)26)21-22-20(16-8-4-2-5-9-16)23-25(21)18-10-6-3-7-11-18/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3
InChIKeyPEMJRLDMGKOBFN-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.41
Rot. Bonds6

About 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one

4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 72897485) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID72897485
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1CC(c2nc(-c3ccccc3)nn2C2CCCCC2)CC1=O
InChIInChI=1S/C21H28N4O2/c1-27-13-12-24-15-17(14-19(24)26)21-22-20(16-8-4-2-5-9-16)23-25(21)18-10-6-3-7-11-18/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3
InChIKeyPEMJRLDMGKOBFN-UHFFFAOYSA-N
XLogP3.41
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-4-[2-benzyl-5-(oxan-4-yl)-1,2,4-triazol-3-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 97451960
1-(2-methoxyethyl)-6-phenylazepan-2-one
CID 22293183
(4R)-4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 99130341
(4S)-1-(2-methoxyethyl)-4-(1-prop-2-ynylbenzimidazol-2-yl)pyrrolidin-2-one
CID 92717179
5-[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 46973506
(5S)-5-[2-cyclohexyl-5-(phenoxymethyl)-1,2,4-triazol-3-yl]-1-methylpiperidin-2-one
CID 97445033
4-[5-(1,4-dioxepan-6-yl)-3-phenyl-1,2,4-triazol-1-yl]-1-methylpiperidine
CID 167804371
1-(2-methoxyethyl)-5-oxo-N-(4-phenyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 108747681
(4R)-4-[2-(1-benzoylpiperidin-4-yl)-6-(methylamino)pyrimidin-4-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 95802308
4-[3-(cyclopentylmethyl)-1,2,4-oxadiazol-5-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 154759331
1-(2-methoxyethyl)-4-[3-(5-methylpyrimidin-2-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 127869141
2-(azepan-1-yl)-4-[(3R)-1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]-1H-pyrimidin-6-one
CID 136869579

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one (CID 72897485) is 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1CC(c2nc(-c3ccccc3)nn2C2CCCCC2)CC1=O.
What is the InChIKey of 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is PEMJRLDMGKOBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-13-12-24-15-17(14-19(24)26)21-22-20(16-8-4-2-5-9-16)23-25(21)18-10-6-3-7-11-18/h2,4-5,8-9,17-18H,3,6-7,10-15H2,1H3.
What are the key properties of 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one?
4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 368.48 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 72897485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).