3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one

C7H10N4O2 — CID 173421814

IUPAC3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one
SMILESO=C1NCCNC1n1cc[nH]c1=O
InChIInChI=1S/C7H10N4O2/c12-6-5(8-1-2-9-6)11-4-3-10-7(11)13/h3-5,8H,1-2H2,(H,9,12)(H,10,13)
InChIKeyCVUPMUMCSAYVIG-UHFFFAOYSA-N
MW182.18 g/mol
LogP-1.61
Rot. Bonds1

About 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one

3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one (PubChem CID 173421814) has the molecular formula C7H10N4O2 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one.

Molecular Properties

Compound Name3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one
PubChem CID173421814
Molecular FormulaC7H10N4O2
Molecular Weight182.18 g/mol
Exact Mass182.08
IUPAC Name3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one
SMILESO=C1NCCNC1n1cc[nH]c1=O
InChIInChI=1S/C7H10N4O2/c12-6-5(8-1-2-9-6)11-4-3-10-7(11)13/h3-5,8H,1-2H2,(H,9,12)(H,10,13)
InChIKeyCVUPMUMCSAYVIG-UHFFFAOYSA-N
XLogP-1.61
TPSA78.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-1.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one?
The IUPAC name of 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one (CID 173421814) is 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one.
What is the SMILES notation for 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one?
The canonical SMILES for 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one is O=C1NCCNC1n1cc[nH]c1=O.
What is the InChIKey of 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one?
The InChIKey is CVUPMUMCSAYVIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N4O2/c12-6-5(8-1-2-9-6)11-4-3-10-7(11)13/h3-5,8H,1-2H2,(H,9,12)(H,10,13).
What are the key properties of 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one?
3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one has a molecular weight of 182.18 g/mol, XLogP of -1.61, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1H-imidazol-3-yl)piperazin-2-one is sourced from PubChem (CID 173421814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).