1-phenylselanyltetrazole

C7H6N4Se — CID 101430776

IUPAC1-phenylselanyltetrazole
SMILESc1ccc([Se]n2cnnn2)cc1
InChIInChI=1S/C7H6N4Se/c1-2-4-7(5-3-1)12-11-6-8-9-10-11/h1-6H
InChIKeySSJZTGVMHMIYTP-UHFFFAOYSA-N
MW225.11 g/mol
LogP-0.53
Rot. Bonds2

About 1-phenylselanyltetrazole

1-phenylselanyltetrazole (PubChem CID 101430776) has the molecular formula C7H6N4Se and a molecular weight of 225.11 g/mol. Its IUPAC name is 1-phenylselanyltetrazole.

Molecular Properties

Compound Name1-phenylselanyltetrazole
PubChem CID101430776
Molecular FormulaC7H6N4Se
Molecular Weight225.11 g/mol
Exact Mass225.98
IUPAC Name1-phenylselanyltetrazole
SMILESc1ccc([Se]n2cnnn2)cc1
InChIInChI=1S/C7H6N4Se/c1-2-4-7(5-3-1)12-11-6-8-9-10-11/h1-6H
InChIKeySSJZTGVMHMIYTP-UHFFFAOYSA-N
XLogP-0.53
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.11
LogP ≤ 5-0.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-phenylselanyltetrazole?
The IUPAC name of 1-phenylselanyltetrazole (CID 101430776) is 1-phenylselanyltetrazole.
What is the SMILES notation for 1-phenylselanyltetrazole?
The canonical SMILES for 1-phenylselanyltetrazole is c1ccc([Se]n2cnnn2)cc1.
What is the InChIKey of 1-phenylselanyltetrazole?
The InChIKey is SSJZTGVMHMIYTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N4Se/c1-2-4-7(5-3-1)12-11-6-8-9-10-11/h1-6H.
What are the key properties of 1-phenylselanyltetrazole?
1-phenylselanyltetrazole has a molecular weight of 225.11 g/mol, XLogP of -0.53, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylselanyltetrazole is sourced from PubChem (CID 101430776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).