5-phenyl-1,3,4-selenadiazol-2-amine

C8H7N3Se — CID 568594

IUPAC5-phenyl-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccccc2)[se]1
InChIInChI=1S/C8H7N3Se/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyUICUUIUEMMMADF-UHFFFAOYSA-N
MW224.13 g/mol
LogP0.78
Rot. Bonds1

About 5-phenyl-1,3,4-selenadiazol-2-amine

5-phenyl-1,3,4-selenadiazol-2-amine (PubChem CID 568594) has the molecular formula C8H7N3Se and a molecular weight of 224.13 g/mol. Its IUPAC name is 5-phenyl-1,3,4-selenadiazol-2-amine.

Molecular Properties

Compound Name5-phenyl-1,3,4-selenadiazol-2-amine
PubChem CID568594
Molecular FormulaC8H7N3Se
Molecular Weight224.13 g/mol
Exact Mass224.98
IUPAC Name5-phenyl-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccccc2)[se]1
InChIInChI=1S/C8H7N3Se/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11)
InChIKeyUICUUIUEMMMADF-UHFFFAOYSA-N
XLogP0.78
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 50.78
H-Bond Donors ≤ 51
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-phenyl-1,3,4-selenadiazol-2-amine?
The IUPAC name of 5-phenyl-1,3,4-selenadiazol-2-amine (CID 568594) is 5-phenyl-1,3,4-selenadiazol-2-amine.
What is the SMILES notation for 5-phenyl-1,3,4-selenadiazol-2-amine?
The canonical SMILES for 5-phenyl-1,3,4-selenadiazol-2-amine is Nc1nnc(-c2ccccc2)[se]1.
What is the InChIKey of 5-phenyl-1,3,4-selenadiazol-2-amine?
The InChIKey is UICUUIUEMMMADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3Se/c9-8-11-10-7(12-8)6-4-2-1-3-5-6/h1-5H,(H2,9,11).
What are the key properties of 5-phenyl-1,3,4-selenadiazol-2-amine?
5-phenyl-1,3,4-selenadiazol-2-amine has a molecular weight of 224.13 g/mol, XLogP of 0.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3,4-selenadiazol-2-amine is sourced from PubChem (CID 568594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).