3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one

C12H20N4O — CID 64983518

IUPAC3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CC(C)NCC2C)c1=O
InChIInChI=1S/C12H20N4O/c1-4-15-6-5-13-11(12(15)17)16-8-9(2)14-7-10(16)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyBPKWTXPMTSDTGR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.45
Rot. Bonds2

About 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one

3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one (PubChem CID 64983518) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one.

Molecular Properties

Compound Name3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one
PubChem CID64983518
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one
SMILESCCn1ccnc(N2CC(C)NCC2C)c1=O
InChIInChI=1S/C12H20N4O/c1-4-15-6-5-13-11(12(15)17)16-8-9(2)14-7-10(16)3/h5-6,9-10,14H,4,7-8H2,1-3H3
InChIKeyBPKWTXPMTSDTGR-UHFFFAOYSA-N
XLogP0.45
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one
CID 62927501
3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
CID 133446960
4-(2,5-dimethylpiperazin-1-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazine
CID 104732607
3-[2-(bromomethyl)azepan-1-yl]-1-ethylpyrazin-2-one
CID 116638803
1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070362
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
3-[2-(2-bromoethyl)piperidin-1-yl]-1-ethylpyrazin-2-one
CID 80670295
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-1-ethylpyrazin-2-one
CID 80680246
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 62927503
2,5-dimethyl-1-pyridin-4-ylpiperazine
CID 64983891

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one?
The IUPAC name of 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one (CID 64983518) is 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one.
What is the SMILES notation for 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one?
The canonical SMILES for 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one is CCn1ccnc(N2CC(C)NCC2C)c1=O.
What is the InChIKey of 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one?
The InChIKey is BPKWTXPMTSDTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-4-15-6-5-13-11(12(15)17)16-8-9(2)14-7-10(16)3/h5-6,9-10,14H,4,7-8H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one?
3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpiperazin-1-yl)-1-ethylpyrazin-2-one is sourced from PubChem (CID 64983518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).