3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one

C12H20N4O — CID 55157553

IUPAC3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC1CN(c2nccn(C(C)C)c2=O)CCN1
InChIInChI=1S/C12H20N4O/c1-9(2)16-7-5-14-11(12(16)17)15-6-4-13-10(3)8-15/h5,7,9-10,13H,4,6,8H2,1-3H3
InChIKeyVGXKBUBQWOSDNR-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.62
Rot. Bonds2

About 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one

3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one (PubChem CID 55157553) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
PubChem CID55157553
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one
SMILESCC1CN(c2nccn(C(C)C)c2=O)CCN1
InChIInChI=1S/C12H20N4O/c1-9(2)16-7-5-14-11(12(16)17)15-6-4-13-10(3)8-15/h5,7,9-10,13H,4,6,8H2,1-3H3
InChIKeyVGXKBUBQWOSDNR-UHFFFAOYSA-N
XLogP0.62
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 ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one (CID 55157553) is 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one is CC1CN(c2nccn(C(C)C)c2=O)CCN1.
What is the InChIKey of 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
The InChIKey is VGXKBUBQWOSDNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)16-7-5-14-11(12(16)17)15-6-4-13-10(3)8-15/h5,7,9-10,13H,4,6,8H2,1-3H3.
What are the key properties of 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one?
3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one has a molecular weight of 236.32 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperazin-1-yl)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55157553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).