2-tert-butyl-5-phenyltetrazole

C11H14N4 — CID 671797

IUPAC2-tert-butyl-5-phenyltetrazole
SMILESCC(C)(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H14N4/c1-11(2,3)15-13-10(12-14-15)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyBSZQFTLIMOHPIL-UHFFFAOYSA-N
MW202.26 g/mol
LogP2.10
Rot. Bonds1

About 2-tert-butyl-5-phenyltetrazole

2-tert-butyl-5-phenyltetrazole (PubChem CID 671797) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-tert-butyl-5-phenyltetrazole.

Molecular Properties

Compound Name2-tert-butyl-5-phenyltetrazole
PubChem CID671797
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name2-tert-butyl-5-phenyltetrazole
SMILESCC(C)(C)n1nnc(-c2ccccc2)n1
InChIInChI=1S/C11H14N4/c1-11(2,3)15-13-10(12-14-15)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKeyBSZQFTLIMOHPIL-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-phenyltetrazole?
The IUPAC name of 2-tert-butyl-5-phenyltetrazole (CID 671797) is 2-tert-butyl-5-phenyltetrazole.
What is the SMILES notation for 2-tert-butyl-5-phenyltetrazole?
The canonical SMILES for 2-tert-butyl-5-phenyltetrazole is CC(C)(C)n1nnc(-c2ccccc2)n1.
What is the InChIKey of 2-tert-butyl-5-phenyltetrazole?
The InChIKey is BSZQFTLIMOHPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-11(2,3)15-13-10(12-14-15)9-7-5-4-6-8-9/h4-8H,1-3H3.
What are the key properties of 2-tert-butyl-5-phenyltetrazole?
2-tert-butyl-5-phenyltetrazole has a molecular weight of 202.26 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-phenyltetrazole is sourced from PubChem (CID 671797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).