1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one

C12H19N5O — CID 66196590

IUPAC1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
SMILESCn1ccnc(N2CC(N3CCNCC3)C2)c1=O
InChIInChI=1S/C12H19N5O/c1-15-5-4-14-11(12(15)18)17-8-10(9-17)16-6-2-13-3-7-16/h4-5,10,13H,2-3,6-9H2,1H3
InChIKeyJIZZPDCJOMNXQM-UHFFFAOYSA-N
MW249.32 g/mol
LogP-1.13
Rot. Bonds2

About 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one

1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one (PubChem CID 66196590) has the molecular formula C12H19N5O and a molecular weight of 249.32 g/mol. Its IUPAC name is 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
PubChem CID66196590
Molecular FormulaC12H19N5O
Molecular Weight249.32 g/mol
Exact Mass249.16
IUPAC Name1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one
SMILESCn1ccnc(N2CC(N3CCNCC3)C2)c1=O
InChIInChI=1S/C12H19N5O/c1-15-5-4-14-11(12(15)18)17-8-10(9-17)16-6-2-13-3-7-16/h4-5,10,13H,2-3,6-9H2,1H3
InChIKeyJIZZPDCJOMNXQM-UHFFFAOYSA-N
XLogP-1.13
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 5-1.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one?
The IUPAC name of 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one (CID 66196590) is 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one?
The canonical SMILES for 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one is Cn1ccnc(N2CC(N3CCNCC3)C2)c1=O.
What is the InChIKey of 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one?
The InChIKey is JIZZPDCJOMNXQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O/c1-15-5-4-14-11(12(15)18)17-8-10(9-17)16-6-2-13-3-7-16/h4-5,10,13H,2-3,6-9H2,1H3.
What are the key properties of 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one?
1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one has a molecular weight of 249.32 g/mol, XLogP of -1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-piperazin-1-ylazetidin-1-yl)pyrazin-2-one is sourced from PubChem (CID 66196590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).