1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione

C12H15ClN4O2 — CID 103054656

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione
SMILESCCCN1CCN(Cc2cnc(Cl)cn2)C(=O)C1=O
InChIInChI=1S/C12H15ClN4O2/c1-2-3-16-4-5-17(12(19)11(16)18)8-9-6-15-10(13)7-14-9/h6-7H,2-5,8H2,1H3
InChIKeyHLCBHCFOIULIHI-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.71
Rot. Bonds4

About 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione

1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione (PubChem CID 103054656) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione
PubChem CID103054656
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione
SMILESCCCN1CCN(Cc2cnc(Cl)cn2)C(=O)C1=O
InChIInChI=1S/C12H15ClN4O2/c1-2-3-16-4-5-17(12(19)11(16)18)8-9-6-15-10(13)7-14-9/h6-7H,2-5,8H2,1H3
InChIKeyHLCBHCFOIULIHI-UHFFFAOYSA-N
XLogP0.71
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione
CID 103054614
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
CID 166103271
1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103054490
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-methylpiperazine-2,3-dione
CID 103057285
1-ethyl-4-[[5-(propylamino)pyrazin-2-yl]methyl]piperazine-2,3-dione
CID 103056990
1-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylazepan-2-one
CID 103054590
1-[(5-hydrazinylpyrazin-2-yl)methyl]-4-methylpiperazine-2,3-dione
CID 103061454
2-chloro-5-[(4-ethylpiperidin-1-yl)methyl]pyrazine
CID 103054128
2-chloro-5-[(3-ethyl-4-methylpiperazin-1-yl)methyl]pyrazine
CID 103054287
1-[(5-chloropyrazin-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 130598455
2-[(5-chloropyrazin-2-yl)methyl]isoindole-1,3-dione
CID 103054453
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
CID 103057509

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione (CID 103054656) is 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione is CCCN1CCN(Cc2cnc(Cl)cn2)C(=O)C1=O.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione?
The InChIKey is HLCBHCFOIULIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-2-3-16-4-5-17(12(19)11(16)18)8-9-6-15-10(13)7-14-9/h6-7H,2-5,8H2,1H3.
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione?
1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione has a molecular weight of 282.73 g/mol, XLogP of 0.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione is sourced from PubChem (CID 103054656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).