1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one

C13H20N4O — CID 82996710

IUPAC1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
SMILESCC1(C)CN(c2nccn(C3CC3)c2=O)CCN1
InChIInChI=1S/C13H20N4O/c1-13(2)9-16(7-6-15-13)11-12(18)17(8-5-14-11)10-3-4-10/h5,8,10,15H,3-4,6-7,9H2,1-2H3
InChIKeyRHEUINVBDKUPCX-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.77
Rot. Bonds2

About 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one

1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one (PubChem CID 82996710) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
PubChem CID82996710
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one
SMILESCC1(C)CN(c2nccn(C3CC3)c2=O)CCN1
InChIInChI=1S/C13H20N4O/c1-13(2)9-16(7-6-15-13)11-12(18)17(8-5-14-11)10-3-4-10/h5,8,10,15H,3-4,6-7,9H2,1-2H3
InChIKeyRHEUINVBDKUPCX-UHFFFAOYSA-N
XLogP0.77
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-bromopiperidin-1-yl)-1-cyclopropylpyrazin-2-one
CID 80674441
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-3-ethylpyrrolidine-3-carboxylic acid
CID 63147237
1-cyclopropyl-3-[3-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62929719
1-(4-cyclopropyl-3-oxopyrazin-2-yl)-4-ethylpiperidine-4-carboxylic acid
CID 63125995
3-[3-(1-aminoethyl)pyrrolidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 113360798
3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-1-cyclopropylpyrazin-2-one
CID 154580769
3-[4-(2-aminoethyl)piperidin-1-yl]-1-cyclopropylpyrazin-2-one
CID 62928895
1-cyclopropyl-3-(2-ethylpiperazin-1-yl)pyrazin-2-one
CID 63601294
1-cyclopropyl-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]pyrazin-2-one
CID 115917389
5-chloro-2-(3,3-dimethylpiperazin-1-yl)pyrimidine
CID 82994053
2-[1-(4-cyclopropyl-3-oxopyrazin-2-yl)piperidin-4-yl]oxyacetic acid
CID 63902780
3-(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-1-cyclopropylpyrazin-2-one
CID 55220023

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one?
The IUPAC name of 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one (CID 82996710) is 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one is CC1(C)CN(c2nccn(C3CC3)c2=O)CCN1.
What is the InChIKey of 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one?
The InChIKey is RHEUINVBDKUPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-13(2)9-16(7-6-15-13)11-12(18)17(8-5-14-11)10-3-4-10/h5,8,10,15H,3-4,6-7,9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one?
1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one has a molecular weight of 248.33 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(3,3-dimethylpiperazin-1-yl)pyrazin-2-one is sourced from PubChem (CID 82996710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).