2-(selenadiazol-4-yl)aniline

C8H7N3Se — CID 12031010

IUPAC2-(selenadiazol-4-yl)aniline
SMILESNc1ccccc1-c1c[se]nn1
InChIInChI=1S/C8H7N3Se/c9-7-4-2-1-3-6(7)8-5-12-11-10-8/h1-5H,9H2
InChIKeyMYORSWRNKSPIPE-UHFFFAOYSA-N
MW224.13 g/mol
LogP0.78
Rot. Bonds1

About 2-(selenadiazol-4-yl)aniline

2-(selenadiazol-4-yl)aniline (PubChem CID 12031010) has the molecular formula C8H7N3Se and a molecular weight of 224.13 g/mol. Its IUPAC name is 2-(selenadiazol-4-yl)aniline.

Molecular Properties

Compound Name2-(selenadiazol-4-yl)aniline
PubChem CID12031010
Molecular FormulaC8H7N3Se
Molecular Weight224.13 g/mol
Exact Mass224.98
IUPAC Name2-(selenadiazol-4-yl)aniline
SMILESNc1ccccc1-c1c[se]nn1
InChIInChI=1S/C8H7N3Se/c9-7-4-2-1-3-6(7)8-5-12-11-10-8/h1-5H,9H2
InChIKeyMYORSWRNKSPIPE-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-(3-methyl-1H-pyrazol-5-yl)aniline
CID 713168
1,2,3-Selenadiazole, 4-phenyl-
CID 141232
4-(4-Fluorophenyl)-1,2,3-selenadiazole
CID 4415272
2-(1,2,3-Thiadiazol-4-yl)aniline
CID 5325802
Trifluoro-(4-phenylselenadiazol-2-ium-2-yl)boranuide
CID 139264760
5-Methyl-4-phenylselenadiazole
CID 134897569
4-(4-Methylphenyl)-1,2,3-selenadiazole
CID 4918299
4-(2-Nitrophenyl)-1,2,3-selenadiazole
CID 12031009
2,5-Diphenyl-1,2,3-diazaarsole
CID 12489548
N-chloro-2-(5-methyl-1H-pyrazol-3-yl)aniline
CID 90741550
2-(5-phenyl-2H-triazol-4-yl)aniline
CID 152694485
3-methylselanyl-5-phenyl-1H-pyrazole
CID 176204893

Frequently Asked Questions

What is the IUPAC name of 2-(selenadiazol-4-yl)aniline?
The IUPAC name of 2-(selenadiazol-4-yl)aniline (CID 12031010) is 2-(selenadiazol-4-yl)aniline.
What is the SMILES notation for 2-(selenadiazol-4-yl)aniline?
The canonical SMILES for 2-(selenadiazol-4-yl)aniline is Nc1ccccc1-c1c[se]nn1.
What is the InChIKey of 2-(selenadiazol-4-yl)aniline?
The InChIKey is MYORSWRNKSPIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3Se/c9-7-4-2-1-3-6(7)8-5-12-11-10-8/h1-5H,9H2.
What are the key properties of 2-(selenadiazol-4-yl)aniline?
2-(selenadiazol-4-yl)aniline 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 2-(selenadiazol-4-yl)aniline is sourced from PubChem (CID 12031010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).