3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one

C11H18N4O — CID 63594922

IUPAC3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCNCC2(C)C)c1=O
InChIInChI=1S/C11H18N4O/c1-11(2)8-12-4-7-15(11)9-10(16)14(3)6-5-13-9/h5-6,12H,4,7-8H2,1-3H3
InChIKeyNYWPAEUOJHBCBR-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.03
Rot. Bonds1

About 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one

3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one (PubChem CID 63594922) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one
PubChem CID63594922
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCNCC2(C)C)c1=O
InChIInChI=1S/C11H18N4O/c1-11(2)8-12-4-7-15(11)9-10(16)14(3)6-5-13-9/h5-6,12H,4,7-8H2,1-3H3
InChIKeyNYWPAEUOJHBCBR-UHFFFAOYSA-N
XLogP-0.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one (CID 63594922) is 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one is Cn1ccnc(N2CCNCC2(C)C)c1=O.
What is the InChIKey of 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is NYWPAEUOJHBCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(2)8-12-4-7-15(11)9-10(16)14(3)6-5-13-9/h5-6,12H,4,7-8H2,1-3H3.
What are the key properties of 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one?
3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpiperazin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 63594922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).