3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one

C14H21N3O — CID 62939867

IUPAC3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCCC2=CCCCC2)c1=O
InChIInChI=1S/C14H21N3O/c1-2-17-11-10-16-13(14(17)18)15-9-8-12-6-4-3-5-7-12/h6,10-11H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyWRKZJPUBYSPKLU-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.57
Rot. Bonds5

About 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one

3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one (PubChem CID 62939867) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one
PubChem CID62939867
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one
SMILESCCn1ccnc(NCCC2=CCCCC2)c1=O
InChIInChI=1S/C14H21N3O/c1-2-17-11-10-16-13(14(17)18)15-9-8-12-6-4-3-5-7-12/h6,10-11H,2-5,7-9H2,1H3,(H,15,16)
InChIKeyWRKZJPUBYSPKLU-UHFFFAOYSA-N
XLogP2.57
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.57
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

1-ethyl-3-(2-piperidin-1-ylethylamino)pyrazin-2-one
CID 62927574
1-ethyl-3-(3-hydroxypropylamino)pyrazin-2-one
CID 62939492
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]ethanesulfonamide
CID 62940018
1-ethyl-3-(2-propan-2-yloxyethylamino)pyrazin-2-one
CID 104577036
1-ethyl-3-(5,5,5-trifluoropentylamino)pyrazin-2-one
CID 113327814
3-(3-ethoxypropylamino)-1-ethylpyrazin-2-one
CID 62940527
3-[2-(cyclohexen-1-yl)ethylamino]pyrazine-2-carbonitrile
CID 55110800
methyl 2-[2-(cyclohexen-1-yl)ethylamino]pyridine-3-carboxylate
CID 60712823
3-(2,2-difluoroethylamino)-1-ethylpyrazin-2-one
CID 115407571
3-[(5-chloro-4-methylpentyl)amino]-1-ethylpyrazin-2-one
CID 106154553
N-[2-(cyclopenten-1-yl)ethyl]-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 106177522
2-[(4-ethyl-3-oxopyrazin-2-yl)amino]acetamide
CID 62938604

Frequently Asked Questions

What is the IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one?
The IUPAC name of 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one (CID 62939867) is 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one?
The canonical SMILES for 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one is CCn1ccnc(NCCC2=CCCCC2)c1=O.
What is the InChIKey of 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one?
The InChIKey is WRKZJPUBYSPKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-2-17-11-10-16-13(14(17)18)15-9-8-12-6-4-3-5-7-12/h6,10-11H,2-5,7-9H2,1H3,(H,15,16).
What are the key properties of 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one?
3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one has a molecular weight of 247.34 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(cyclohexen-1-yl)ethylamino]-1-ethylpyrazin-2-one is sourced from PubChem (CID 62939867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).