5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole

C11H14N4 — CID 54416981

IUPAC5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
SMILESCC(C)(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H14N4/c1-11(2,10-12-14-15-13-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13,14,15)
InChIKeyVYDLZOWMGPAVLN-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.72
Rot. Bonds3

About 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole

5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole (PubChem CID 54416981) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole.

Molecular Properties

Compound Name5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
PubChem CID54416981
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole
SMILESCC(C)(Cc1ccccc1)c1nn[nH]n1
InChIInChI=1S/C11H14N4/c1-11(2,10-12-14-15-13-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13,14,15)
InChIKeyVYDLZOWMGPAVLN-UHFFFAOYSA-N
XLogP1.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole?
The IUPAC name of 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole (CID 54416981) is 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole.
What is the SMILES notation for 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole?
The canonical SMILES for 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole is CC(C)(Cc1ccccc1)c1nn[nH]n1.
What is the InChIKey of 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole?
The InChIKey is VYDLZOWMGPAVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,10-12-14-15-13-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,12,13,14,15).
What are the key properties of 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole?
5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole has a molecular weight of 202.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1-phenylpropan-2-yl)-2H-tetrazole is sourced from PubChem (CID 54416981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).