4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole

C7H4N6Se — CID 3908602

IUPAC4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole
SMILESc1cc(-n2cnnn2)c2n[se]nc2c1
InChIInChI=1S/C7H4N6Se/c1-2-5-7(10-14-9-5)6(3-1)13-4-8-11-12-13/h1-4H
InChIKeyJXGXBYFEZRATSG-UHFFFAOYSA-N
MW251.11 g/mol
LogP-0.34
Rot. Bonds1

About 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole

4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole (PubChem CID 3908602) has the molecular formula C7H4N6Se and a molecular weight of 251.11 g/mol. Its IUPAC name is 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole.

Molecular Properties

Compound Name4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole
PubChem CID3908602
Molecular FormulaC7H4N6Se
Molecular Weight251.11 g/mol
Exact Mass251.97
IUPAC Name4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole
SMILESc1cc(-n2cnnn2)c2n[se]nc2c1
InChIInChI=1S/C7H4N6Se/c1-2-5-7(10-14-9-5)6(3-1)13-4-8-11-12-13/h1-4H
InChIKeyJXGXBYFEZRATSG-UHFFFAOYSA-N
XLogP-0.34
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.11
LogP ≤ 5-0.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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CID 70103004
N-chloro-2-(tetrazol-1-yl)benzamide
CID 91422333
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Frequently Asked Questions

What is the IUPAC name of 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole?
The IUPAC name of 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole (CID 3908602) is 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole.
What is the SMILES notation for 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole?
The canonical SMILES for 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole is c1cc(-n2cnnn2)c2n[se]nc2c1.
What is the InChIKey of 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole?
The InChIKey is JXGXBYFEZRATSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4N6Se/c1-2-5-7(10-14-9-5)6(3-1)13-4-8-11-12-13/h1-4H.
What are the key properties of 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole?
4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole has a molecular weight of 251.11 g/mol, XLogP of -0.34, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tetrazol-1-yl)-2,1,3-benzoselenadiazole is sourced from PubChem (CID 3908602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).