1-(4-tert-butylphenyl)tetrazole

C11H14N4 — CID 18674872

IUPAC1-(4-tert-butylphenyl)tetrazole
SMILESCC(C)(C)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N4/c1-11(2,3)9-4-6-10(7-5-9)15-8-12-13-14-15/h4-8H,1-3H3
InChIKeyKTQHULHRMDQYGC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.96
Rot. Bonds1

About 1-(4-tert-butylphenyl)tetrazole

1-(4-tert-butylphenyl)tetrazole (PubChem CID 18674872) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)tetrazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)tetrazole
PubChem CID18674872
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name1-(4-tert-butylphenyl)tetrazole
SMILESCC(C)(C)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C11H14N4/c1-11(2,3)9-4-6-10(7-5-9)15-8-12-13-14-15/h4-8H,1-3H3
InChIKeyKTQHULHRMDQYGC-UHFFFAOYSA-N
XLogP1.96
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)tetrazole?
The IUPAC name of 1-(4-tert-butylphenyl)tetrazole (CID 18674872) is 1-(4-tert-butylphenyl)tetrazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)tetrazole?
The canonical SMILES for 1-(4-tert-butylphenyl)tetrazole is CC(C)(C)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)tetrazole?
The InChIKey is KTQHULHRMDQYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)9-4-6-10(7-5-9)15-8-12-13-14-15/h4-8H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)tetrazole?
1-(4-tert-butylphenyl)tetrazole has a molecular weight of 202.26 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)tetrazole is sourced from PubChem (CID 18674872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).