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

C12H15ClN4O2 — CID 103054614

IUPAC1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cnc(Cl)cn2)CC1=O
InChIInChI=1S/C12H15ClN4O2/c1-2-3-16-7-12(19)17(8-11(16)18)6-9-4-15-10(13)5-14-9/h4-5H,2-3,6-8H2,1H3
InChIKeyFKUDHALTQHIOKR-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.71
Rot. Bonds4

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

1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione (PubChem CID 103054614) 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-2,5-dione.

Molecular Properties

Compound Name1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione
PubChem CID103054614
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC Name1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione
SMILESCCCN1CC(=O)N(Cc2cnc(Cl)cn2)CC1=O
InChIInChI=1S/C12H15ClN4O2/c1-2-3-16-7-12(19)17(8-11(16)18)6-9-4-15-10(13)5-14-9/h4-5H,2-3,6-8H2,1H3
InChIKeyFKUDHALTQHIOKR-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

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Related Compounds

1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,3-dione
CID 103054656
1-[[5-(ethylamino)pyrazin-2-yl]methyl]-4-propylpiperazine-2,5-dione
CID 103057509
1-[(6-chloropyridazin-3-yl)methyl]-4-propylpiperazine-2,5-dione
CID 104514012
1-[(5-chloropyrazin-2-yl)methyl]piperidin-2-one
CID 103054490
1-[(5-chloropyrazin-2-yl)methyl]-5,5-dimethylazepan-2-one
CID 103054590
1-[(4-iodophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79941944
1-[(5-chloropyrazin-2-yl)methyl]-5-methylpyrrolidin-2-one
CID 130598455
1-[[6-(methylamino)-2-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
CID 79942321
1-[(4-amino-2-chlorophenyl)methyl]-4-propylpiperazine-2,5-dione
CID 79936117
4-[(5-chloropyrazin-2-yl)methyl]piperazin-2-one
CID 103054010
1-[(5-chloropyrazin-2-yl)methyl]-4-cyclopentylpiperazine-2,3-dione
CID 166103271
1-[[2-(methylamino)-3-pyridinyl]methyl]-4-propylpiperazine-2,5-dione
CID 79942502

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione?
The IUPAC name of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione (CID 103054614) is 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione.
What is the SMILES notation for 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione?
The canonical SMILES for 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione is CCCN1CC(=O)N(Cc2cnc(Cl)cn2)CC1=O.
What is the InChIKey of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione?
The InChIKey is FKUDHALTQHIOKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c1-2-3-16-7-12(19)17(8-11(16)18)6-9-4-15-10(13)5-14-9/h4-5H,2-3,6-8H2,1H3.
What are the key properties of 1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-dione?
1-[(5-chloropyrazin-2-yl)methyl]-4-propylpiperazine-2,5-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-2,5-dione is sourced from PubChem (CID 103054614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).