5-benzyl-2-(1-phenylethyl)tetrazole

C16H16N4 — CID 143087598

IUPAC5-benzyl-2-(1-phenylethyl)tetrazole
SMILESCC(c1ccccc1)n1nnc(Cc2ccccc2)n1
InChIInChI=1S/C16H16N4/c1-13(15-10-6-3-7-11-15)20-18-16(17-19-20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyUIGWDACXJPRNDO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.87
Rot. Bonds4

About 5-benzyl-2-(1-phenylethyl)tetrazole

5-benzyl-2-(1-phenylethyl)tetrazole (PubChem CID 143087598) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-benzyl-2-(1-phenylethyl)tetrazole.

Molecular Properties

Compound Name5-benzyl-2-(1-phenylethyl)tetrazole
PubChem CID143087598
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-benzyl-2-(1-phenylethyl)tetrazole
SMILESCC(c1ccccc1)n1nnc(Cc2ccccc2)n1
InChIInChI=1S/C16H16N4/c1-13(15-10-6-3-7-11-15)20-18-16(17-19-20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3
InChIKeyUIGWDACXJPRNDO-UHFFFAOYSA-N
XLogP2.87
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(1-phenylethyl)tetrazole?
The IUPAC name of 5-benzyl-2-(1-phenylethyl)tetrazole (CID 143087598) is 5-benzyl-2-(1-phenylethyl)tetrazole.
What is the SMILES notation for 5-benzyl-2-(1-phenylethyl)tetrazole?
The canonical SMILES for 5-benzyl-2-(1-phenylethyl)tetrazole is CC(c1ccccc1)n1nnc(Cc2ccccc2)n1.
What is the InChIKey of 5-benzyl-2-(1-phenylethyl)tetrazole?
The InChIKey is UIGWDACXJPRNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-13(15-10-6-3-7-11-15)20-18-16(17-19-20)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3.
What are the key properties of 5-benzyl-2-(1-phenylethyl)tetrazole?
5-benzyl-2-(1-phenylethyl)tetrazole has a molecular weight of 264.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(1-phenylethyl)tetrazole is sourced from PubChem (CID 143087598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).