5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one

C10H10N6O2 — CID 107436572

IUPAC5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
SMILESO=C1CNC(c2nc(-c3ccncn3)no2)CN1
InChIInChI=1S/C10H10N6O2/c17-8-4-12-7(3-13-8)10-15-9(16-18-10)6-1-2-11-5-14-6/h1-2,5,7,12H,3-4H2,(H,13,17)
InChIKeyPUUNRZNXVIXKBX-UHFFFAOYSA-N
MW246.23 g/mol
LogP-0.71
Rot. Bonds2

About 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one

5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one (PubChem CID 107436572) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one.

Molecular Properties

Compound Name5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
PubChem CID107436572
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one
SMILESO=C1CNC(c2nc(-c3ccncn3)no2)CN1
InChIInChI=1S/C10H10N6O2/c17-8-4-12-7(3-13-8)10-15-9(16-18-10)6-1-2-11-5-14-6/h1-2,5,7,12H,3-4H2,(H,13,17)
InChIKeyPUUNRZNXVIXKBX-UHFFFAOYSA-N
XLogP-0.71
TPSA105.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
The IUPAC name of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one (CID 107436572) is 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one.
What is the SMILES notation for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
The canonical SMILES for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one is O=C1CNC(c2nc(-c3ccncn3)no2)CN1.
What is the InChIKey of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
The InChIKey is PUUNRZNXVIXKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c17-8-4-12-7(3-13-8)10-15-9(16-18-10)6-1-2-11-5-14-6/h1-2,5,7,12H,3-4H2,(H,13,17).
What are the key properties of 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one?
5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one has a molecular weight of 246.23 g/mol, XLogP of -0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)piperazin-2-one is sourced from PubChem (CID 107436572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).