3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one

C13H22N4O — CID 53015087

IUPAC3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCN(C)CC2)c1=O
InChIInChI=1S/C13H22N4O/c1-11(2)10-17-5-4-14-12(13(17)18)16-8-6-15(3)7-9-16/h4-5,11H,6-10H2,1-3H3
InChIKeyUGBMZNFCMDUJEJ-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.65
Rot. Bonds3

About 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one

3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 53015087) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID53015087
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(N2CCN(C)CC2)c1=O
InChIInChI=1S/C13H22N4O/c1-11(2)10-17-5-4-14-12(13(17)18)16-8-6-15(3)7-9-16/h4-5,11H,6-10H2,1-3H3
InChIKeyUGBMZNFCMDUJEJ-UHFFFAOYSA-N
XLogP0.65
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-Ethyl-3-(2-methylpropylamino)pyrazin-2-one
CID 53015100
1-(2-Methylpropyl)-3-(morpholin-4-YL)-1,2-dihydropyrazin-2-one
CID 53015108
1-Ethyl-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015072
1-Ethyl-3-(4-methylpiperazin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015084
1-Cyclopropyl-3-[4-(2-methylpropyl)-3-oxopiperazin-1-YL]pyrazin-2-one
CID 91650224
3-[4-(Fluoromethyl)piperidin-1-yl]-1-methyl-1,2-dihydropyrazin-2-one
CID 166604872
1-(2-Methylpropyl)-3-(piperidin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015075
3-(4-Methylpiperidin-1-YL)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015077
3-(Piperidin-1-YL)-1-propyl-1,2-dihydropyrazin-2-one
CID 53015079
1-Ethyl-3-(4-ethylpiperazin-1-YL)-1,2-dihydropyrazin-2-one
CID 53015085
3-(4-ethylpiperazin-1-yl)-1H-pyrazin-2-one
CID 115650134
1,4-Bis(ethenyl)-3,6-bis(ethenylimino)piperazine-2,5-dione
CID 134184113

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one (CID 53015087) is 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(N2CCN(C)CC2)c1=O.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is UGBMZNFCMDUJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-11(2)10-17-5-4-14-12(13(17)18)16-8-6-15(3)7-9-16/h4-5,11H,6-10H2,1-3H3.
What are the key properties of 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 53015087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).