5-(3-tert-butylphenyl)-2H-tetrazole

C11H14N4 — CID 22972916

IUPAC5-(3-tert-butylphenyl)-2H-tetrazole
SMILESCC(C)(C)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H14N4/c1-11(2,3)9-6-4-5-8(7-9)10-12-14-15-13-10/h4-7H,1-3H3,(H,12,13,14,15)
InChIKeyJUAIVQIZGAFCOD-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.16
Rot. Bonds1

About 5-(3-tert-butylphenyl)-2H-tetrazole

5-(3-tert-butylphenyl)-2H-tetrazole (PubChem CID 22972916) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 5-(3-tert-butylphenyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-tert-butylphenyl)-2H-tetrazole
PubChem CID22972916
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name5-(3-tert-butylphenyl)-2H-tetrazole
SMILESCC(C)(C)c1cccc(-c2nn[nH]n2)c1
InChIInChI=1S/C11H14N4/c1-11(2,3)9-6-4-5-8(7-9)10-12-14-15-13-10/h4-7H,1-3H3,(H,12,13,14,15)
InChIKeyJUAIVQIZGAFCOD-UHFFFAOYSA-N
XLogP2.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-tert-butylphenyl)-2H-tetrazole?
The IUPAC name of 5-(3-tert-butylphenyl)-2H-tetrazole (CID 22972916) is 5-(3-tert-butylphenyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-tert-butylphenyl)-2H-tetrazole?
The canonical SMILES for 5-(3-tert-butylphenyl)-2H-tetrazole is CC(C)(C)c1cccc(-c2nn[nH]n2)c1.
What is the InChIKey of 5-(3-tert-butylphenyl)-2H-tetrazole?
The InChIKey is JUAIVQIZGAFCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)9-6-4-5-8(7-9)10-12-14-15-13-10/h4-7H,1-3H3,(H,12,13,14,15).
What are the key properties of 5-(3-tert-butylphenyl)-2H-tetrazole?
5-(3-tert-butylphenyl)-2H-tetrazole has a molecular weight of 202.26 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-tert-butylphenyl)-2H-tetrazole is sourced from PubChem (CID 22972916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).