1-(4-tert-butylphenyl)-5-phenyltetrazole

C17H18N4 — CID 2732009

IUPAC1-(4-tert-butylphenyl)-5-phenyltetrazole
SMILESCC(C)(C)c1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-17(2,3)14-9-11-15(12-10-14)21-16(18-19-20-21)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyNAVYPPPPZLFSMR-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.63
Rot. Bonds2

About 1-(4-tert-butylphenyl)-5-phenyltetrazole

1-(4-tert-butylphenyl)-5-phenyltetrazole (PubChem CID 2732009) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-5-phenyltetrazole.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-5-phenyltetrazole
PubChem CID2732009
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name1-(4-tert-butylphenyl)-5-phenyltetrazole
SMILESCC(C)(C)c1ccc(-n2nnnc2-c2ccccc2)cc1
InChIInChI=1S/C17H18N4/c1-17(2,3)14-9-11-15(12-10-14)21-16(18-19-20-21)13-7-5-4-6-8-13/h4-12H,1-3H3
InChIKeyNAVYPPPPZLFSMR-UHFFFAOYSA-N
XLogP3.63
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.63
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)-5-phenyltetrazole?
The IUPAC name of 1-(4-tert-butylphenyl)-5-phenyltetrazole (CID 2732009) is 1-(4-tert-butylphenyl)-5-phenyltetrazole.
What is the SMILES notation for 1-(4-tert-butylphenyl)-5-phenyltetrazole?
The canonical SMILES for 1-(4-tert-butylphenyl)-5-phenyltetrazole is CC(C)(C)c1ccc(-n2nnnc2-c2ccccc2)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-5-phenyltetrazole?
The InChIKey is NAVYPPPPZLFSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-17(2,3)14-9-11-15(12-10-14)21-16(18-19-20-21)13-7-5-4-6-8-13/h4-12H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-5-phenyltetrazole?
1-(4-tert-butylphenyl)-5-phenyltetrazole has a molecular weight of 278.36 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-5-phenyltetrazole is sourced from PubChem (CID 2732009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).