5-benzylselanyl-1-cyclohexyltetrazole

C14H18N4Se — CID 90683039

IUPAC5-benzylselanyl-1-cyclohexyltetrazole
SMILESc1ccc(C[Se]c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C14H18N4Se/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyCBZRODHFSBUSMP-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.71
Rot. Bonds4

About 5-benzylselanyl-1-cyclohexyltetrazole

5-benzylselanyl-1-cyclohexyltetrazole (PubChem CID 90683039) has the molecular formula C14H18N4Se and a molecular weight of 321.29 g/mol. Its IUPAC name is 5-benzylselanyl-1-cyclohexyltetrazole.

Molecular Properties

Compound Name5-benzylselanyl-1-cyclohexyltetrazole
PubChem CID90683039
Molecular FormulaC14H18N4Se
Molecular Weight321.29 g/mol
Exact Mass322.07
IUPAC Name5-benzylselanyl-1-cyclohexyltetrazole
SMILESc1ccc(C[Se]c2nnnn2C2CCCCC2)cc1
InChIInChI=1S/C14H18N4Se/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2
InChIKeyCBZRODHFSBUSMP-UHFFFAOYSA-N
XLogP1.71
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.71
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 5-benzylselanyl-1-cyclohexyltetrazole?
The IUPAC name of 5-benzylselanyl-1-cyclohexyltetrazole (CID 90683039) is 5-benzylselanyl-1-cyclohexyltetrazole.
What is the SMILES notation for 5-benzylselanyl-1-cyclohexyltetrazole?
The canonical SMILES for 5-benzylselanyl-1-cyclohexyltetrazole is c1ccc(C[Se]c2nnnn2C2CCCCC2)cc1.
What is the InChIKey of 5-benzylselanyl-1-cyclohexyltetrazole?
The InChIKey is CBZRODHFSBUSMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4Se/c1-3-7-12(8-4-1)11-19-14-15-16-17-18(14)13-9-5-2-6-10-13/h1,3-4,7-8,13H,2,5-6,9-11H2.
What are the key properties of 5-benzylselanyl-1-cyclohexyltetrazole?
5-benzylselanyl-1-cyclohexyltetrazole has a molecular weight of 321.29 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylselanyl-1-cyclohexyltetrazole is sourced from PubChem (CID 90683039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).