5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole

C16H24N4 — CID 55816704

IUPAC5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnnc2C(C)(C)C)cc1
InChIInChI=1S/C16H24N4/c1-15(2,3)13-9-7-12(8-10-13)11-20-14(16(4,5)6)17-18-19-20/h7-10H,11H2,1-6H3
InChIKeyKABLEKALKYFSBS-UHFFFAOYSA-N
MW272.40 g/mol
LogP3.32
Rot. Bonds2

About 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole

5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole (PubChem CID 55816704) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole
PubChem CID55816704
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole
SMILESCC(C)(C)c1ccc(Cn2nnnc2C(C)(C)C)cc1
InChIInChI=1S/C16H24N4/c1-15(2,3)13-9-7-12(8-10-13)11-20-14(16(4,5)6)17-18-19-20/h7-10H,11H2,1-6H3
InChIKeyKABLEKALKYFSBS-UHFFFAOYSA-N
XLogP3.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole?
The IUPAC name of 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole (CID 55816704) is 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole?
The canonical SMILES for 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole is CC(C)(C)c1ccc(Cn2nnnc2C(C)(C)C)cc1.
What is the InChIKey of 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole?
The InChIKey is KABLEKALKYFSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-15(2,3)13-9-7-12(8-10-13)11-20-14(16(4,5)6)17-18-19-20/h7-10H,11H2,1-6H3.
What are the key properties of 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole?
5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole has a molecular weight of 272.40 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-[(4-tert-butylphenyl)methyl]tetrazole is sourced from PubChem (CID 55816704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).