5-phenyl-2-(2-phenylpropan-2-yl)tetrazole

C16H16N4 — CID 1289594

IUPAC5-phenyl-2-(2-phenylpropan-2-yl)tetrazole
SMILESCC(C)(c1ccccc1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H16N4/c1-16(2,14-11-7-4-8-12-14)20-18-15(17-19-20)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyIRWNVNYVNZBWDD-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.12
Rot. Bonds3

About 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole

5-phenyl-2-(2-phenylpropan-2-yl)tetrazole (PubChem CID 1289594) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole.

Molecular Properties

Compound Name5-phenyl-2-(2-phenylpropan-2-yl)tetrazole
PubChem CID1289594
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name5-phenyl-2-(2-phenylpropan-2-yl)tetrazole
SMILESCC(C)(c1ccccc1)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C16H16N4/c1-16(2,14-11-7-4-8-12-14)20-18-15(17-19-20)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyIRWNVNYVNZBWDD-UHFFFAOYSA-N
XLogP3.12
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole?
The IUPAC name of 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole (CID 1289594) is 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole.
What is the SMILES notation for 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole?
The canonical SMILES for 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole is CC(C)(c1ccccc1)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole?
The InChIKey is IRWNVNYVNZBWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c1-16(2,14-11-7-4-8-12-14)20-18-15(17-19-20)13-9-5-3-6-10-13/h3-12H,1-2H3.
What are the key properties of 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole?
5-phenyl-2-(2-phenylpropan-2-yl)tetrazole has a molecular weight of 264.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(2-phenylpropan-2-yl)tetrazole is sourced from PubChem (CID 1289594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).