2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

C15H22N4O2 — CID 71928809

IUPAC2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc(C2CN(C(=O)CC3C=CCC3)CCO2)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-2-13-16-15(18-17-13)12-10-19(7-8-21-12)14(20)9-11-5-3-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3,(H,16,17,18)
InChIKeyIALPIQJZCAHHML-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.62
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone

2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (PubChem CID 71928809) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
PubChem CID71928809
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
SMILESCCc1nc(C2CN(C(=O)CC3C=CCC3)CCO2)n[nH]1
InChIInChI=1S/C15H22N4O2/c1-2-13-16-15(18-17-13)12-10-19(7-8-21-12)14(20)9-11-5-3-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3,(H,16,17,18)
InChIKeyIALPIQJZCAHHML-UHFFFAOYSA-N
XLogP1.62
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-3-pyrrol-1-ylbutan-1-one
CID 96996811
2-[benzyl(methyl)amino]-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 71872781
1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-[(1R,2S)-2-methylcyclohexyl]oxyethanone
CID 96996840
2-(benzotriazol-1-yl)-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 167874526
[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-pyrrol-2-yl)methanone
CID 124607635
1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-5-phenylpent-4-en-1-one
CID 71928774
4-[2-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-2-oxoethoxy]benzonitrile
CID 96996849
[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-imidazol-5-yl)methanone
CID 71872925
2-(5-chloro-3-methyl-1,2-oxazol-4-yl)-1-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone
CID 96996858
1-[(2R)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-4-(1,2,4-triazol-1-yl)butan-1-one
CID 97059571
[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 96996948
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 96996940

Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone (CID 71928809) is 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is CCc1nc(C2CN(C(=O)CC3C=CCC3)CCO2)n[nH]1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
The InChIKey is IALPIQJZCAHHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-13-16-15(18-17-13)12-10-19(7-8-21-12)14(20)9-11-5-3-4-6-11/h3,5,11-12H,2,4,6-10H2,1H3,(H,16,17,18).
What are the key properties of 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone has a molecular weight of 290.37 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 71928809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).