3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one

C13H22N4O — CID 62939288

IUPAC3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC1CN(c2nccn(C(C)C)c2=O)CC(C)N1
InChIInChI=1S/C13H22N4O/c1-9(2)17-6-5-14-12(13(17)18)16-7-10(3)15-11(4)8-16/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyCWRVNJCEDNNPIL-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.01
Rot. Bonds2

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

3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one (PubChem CID 62939288) 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-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
PubChem CID62939288
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC1CN(c2nccn(C(C)C)c2=O)CC(C)N1
InChIInChI=1S/C13H22N4O/c1-9(2)17-6-5-14-12(13(17)18)16-7-10(3)15-11(4)8-16/h5-6,9-11,15H,7-8H2,1-4H3
InChIKeyCWRVNJCEDNNPIL-UHFFFAOYSA-N
XLogP1.01
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.01
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-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one (CID 62939288) is 3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one is CC1CN(c2nccn(C(C)C)c2=O)CC(C)N1.
What is the InChIKey of 3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
The InChIKey is CWRVNJCEDNNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)17-6-5-14-12(13(17)18)16-7-10(3)15-11(4)8-16/h5-6,9-11,15H,7-8H2,1-4H3.
What are the key properties of 3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
3-(3,5-dimethylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.01, 2 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-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 62939288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).