5-(furan-2-yl)-1,3,4-selenadiazol-2-amine

C6H5N3OSe — CID 166447374

IUPAC5-(furan-2-yl)-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccco2)[se]1
InChIInChI=1S/C6H5N3OSe/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKeyYOICDOVTSYXDMD-UHFFFAOYSA-N
MW214.09 g/mol
LogP0.38
Rot. Bonds1

About 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine

5-(furan-2-yl)-1,3,4-selenadiazol-2-amine (PubChem CID 166447374) has the molecular formula C6H5N3OSe and a molecular weight of 214.09 g/mol. Its IUPAC name is 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-1,3,4-selenadiazol-2-amine
PubChem CID166447374
Molecular FormulaC6H5N3OSe
Molecular Weight214.09 g/mol
Exact Mass214.96
IUPAC Name5-(furan-2-yl)-1,3,4-selenadiazol-2-amine
SMILESNc1nnc(-c2ccco2)[se]1
InChIInChI=1S/C6H5N3OSe/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9)
InChIKeyYOICDOVTSYXDMD-UHFFFAOYSA-N
XLogP0.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.09
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

ethane;2-(furan-2-yl)furan
CID 161366084
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370391
4-(furan-2-yl)-1,3-oxazol-5-amine
CID 96636219
4-bromo-6-(furan-2-yl)pyridazin-3-amine
CID 117106412
4-chloro-6-(furan-2-yl)pyridazin-3-amine
CID 117106380
5-bromo-4,6-bis(furan-2-yl)pyrimidin-2-amine
CID 23020456
3-(furan-2-yl)quinoxalin-2-amine
CID 102364345
(1R,6S)-2,5-bis(furan-2-yl)-3,4-diazabicyclo[4.1.0]hepta-2,4-diene
CID 101124838
2-(furan-2-yl)thiophen-3-amine
CID 131490836
[5,6-bis(furan-2-yl)-1,2,4-triazin-3-yl]hydrazine
CID 12854420
3-(furan-2-yl)-1,2,4-triazine
CID 11367075
2-bromo-5-(furan-2-yl)-1,3,4-thiadiazole
CID 63383548

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine?
The IUPAC name of 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine (CID 166447374) is 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine.
What is the SMILES notation for 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine?
The canonical SMILES for 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine is Nc1nnc(-c2ccco2)[se]1.
What is the InChIKey of 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine?
The InChIKey is YOICDOVTSYXDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3OSe/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9).
What are the key properties of 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine?
5-(furan-2-yl)-1,3,4-selenadiazol-2-amine has a molecular weight of 214.09 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-1,3,4-selenadiazol-2-amine is sourced from PubChem (CID 166447374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).