3-hydroxy-1,3,5-selenadiazinane

C3H8N2OSe — CID 87839958

IUPAC3-hydroxy-1,3,5-selenadiazinane
SMILESON1CNC[Se]C1
InChIInChI=1S/C3H8N2OSe/c6-5-1-4-2-7-3-5/h4,6H,1-3H2
InChIKeyCFJUHFNRZBZVHH-UHFFFAOYSA-N
MW167.07 g/mol
LogP-1.14
Rot. Bonds

About 3-hydroxy-1,3,5-selenadiazinane

3-hydroxy-1,3,5-selenadiazinane (PubChem CID 87839958) has the molecular formula C3H8N2OSe and a molecular weight of 167.07 g/mol. Its IUPAC name is 3-hydroxy-1,3,5-selenadiazinane.

Molecular Properties

Compound Name3-hydroxy-1,3,5-selenadiazinane
PubChem CID87839958
Molecular FormulaC3H8N2OSe
Molecular Weight167.07 g/mol
Exact Mass167.98
IUPAC Name3-hydroxy-1,3,5-selenadiazinane
SMILESON1CNC[Se]C1
InChIInChI=1S/C3H8N2OSe/c6-5-1-4-2-7-3-5/h4,6H,1-3H2
InChIKeyCFJUHFNRZBZVHH-UHFFFAOYSA-N
XLogP-1.14
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.07
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
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 3-hydroxy-1,3,5-selenadiazinane?
The IUPAC name of 3-hydroxy-1,3,5-selenadiazinane (CID 87839958) is 3-hydroxy-1,3,5-selenadiazinane.
What is the SMILES notation for 3-hydroxy-1,3,5-selenadiazinane?
The canonical SMILES for 3-hydroxy-1,3,5-selenadiazinane is ON1CNC[Se]C1.
What is the InChIKey of 3-hydroxy-1,3,5-selenadiazinane?
The InChIKey is CFJUHFNRZBZVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OSe/c6-5-1-4-2-7-3-5/h4,6H,1-3H2.
What are the key properties of 3-hydroxy-1,3,5-selenadiazinane?
3-hydroxy-1,3,5-selenadiazinane has a molecular weight of 167.07 g/mol, XLogP of -1.14, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1,3,5-selenadiazinane is sourced from PubChem (CID 87839958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).