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

C13H22N4O — CID 55157746

IUPAC3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CC(C)NC(C)C2)c1=O
InChIInChI=1S/C13H22N4O/c1-4-6-16-7-5-14-12(13(16)18)17-8-10(2)15-11(3)9-17/h5,7,10-11,15H,4,6,8-9H2,1-3H3
InChIKeyRTVZXGSKEVVQLT-UHFFFAOYSA-N
MW250.35 g/mol
LogP0.84
Rot. Bonds3

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

3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one (PubChem CID 55157746) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one
PubChem CID55157746
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one
SMILESCCCn1ccnc(N2CC(C)NC(C)C2)c1=O
InChIInChI=1S/C13H22N4O/c1-4-6-16-7-5-14-12(13(16)18)17-8-10(2)15-11(3)9-17/h5,7,10-11,15H,4,6,8-9H2,1-3H3
InChIKeyRTVZXGSKEVVQLT-UHFFFAOYSA-N
XLogP0.84
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one (CID 55157746) is 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one is CCCn1ccnc(N2CC(C)NC(C)C2)c1=O.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one?
The InChIKey is RTVZXGSKEVVQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-6-16-7-5-14-12(13(16)18)17-8-10(2)15-11(3)9-17/h5,7,10-11,15H,4,6,8-9H2,1-3H3.
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one?
3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpiperazin-1-yl)-1-propylpyrazin-2-one is sourced from PubChem (CID 55157746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).