5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

C4H5N4OSe — CID 164889639

IUPAC—
SMILESO=C1NC2N=C([Se])NC2N1
InChIInChI=1S/C4H5N4OSe/c9-3-5-1-2(6-3)8-4(10)7-1/h1-2H,(H,7,8)(H2,5,6,9)
InChIKeyPSEFUDHRDSVAKM-UHFFFAOYSA-N
MW204.07 g/mol
LogP-1.92
Rot. Bonds

About 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one

5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (PubChem CID 164889639) has the molecular formula C4H5N4OSe and a molecular weight of 204.07 g/mol.

Molecular Properties

Compound Name5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one
PubChem CID164889639
Molecular FormulaC4H5N4OSe
Molecular Weight204.07 g/mol
Exact Mass204.96
IUPAC Name—
SMILESO=C1NC2N=C([Se])NC2N1
InChIInChI=1S/C4H5N4OSe/c9-3-5-1-2(6-3)8-4(10)7-1/h1-2H,(H,7,8)(H2,5,6,9)
InChIKeyPSEFUDHRDSVAKM-UHFFFAOYSA-N
XLogP-1.92
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.07
LogP ≤ 5-1.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The IUPAC name of 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one (CID 164889639) is not available.
What is the SMILES notation for 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The canonical SMILES for 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is O=C1NC2N=C([Se])NC2N1.
What is the InChIKey of 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
The InChIKey is PSEFUDHRDSVAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N4OSe/c9-3-5-1-2(6-3)8-4(10)7-1/h1-2H,(H,7,8)(H2,5,6,9).
What are the key properties of 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one?
5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one has a molecular weight of 204.07 g/mol, XLogP of -1.92, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-Selenoxohexahydroimidazo[4,5-d]imidazol-2(1h)-one is sourced from PubChem (CID 164889639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).