5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole

C14H18N4 — CID 172619573

IUPAC5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole
SMILESC=Cc1ccc(Cn2nnc(C(C)(C)C)n2)cc1
InChIInChI=1S/C14H18N4/c1-5-11-6-8-12(9-7-11)10-18-16-13(15-17-18)14(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyBFNGVUSOGPQSSB-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.66
Rot. Bonds3

About 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole

5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole (PubChem CID 172619573) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole
PubChem CID172619573
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole
SMILESC=Cc1ccc(Cn2nnc(C(C)(C)C)n2)cc1
InChIInChI=1S/C14H18N4/c1-5-11-6-8-12(9-7-11)10-18-16-13(15-17-18)14(2,3)4/h5-9H,1,10H2,2-4H3
InChIKeyBFNGVUSOGPQSSB-UHFFFAOYSA-N
XLogP2.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-ethenylphenyl)methyl]-N-ethyltetrazol-5-amine
CID 172619680
2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
CID 172619544
2-[(4-ethenylphenyl)methyl]-5-[9-[2-[(4-ethenylphenyl)methyl]tetrazol-5-yl]nonyl]tetrazole
CID 172619655
2-[(4-ethenylphenyl)methyl]-5-propylsulfanyltetrazole
CID 172619532
2-[(4-ethenylphenyl)methyl]-5-(2-phenylethyl)tetrazole
CID 172619805
2-[(4-ethenylphenyl)methyl]-5-hexylsulfanyltetrazole
CID 172619685
2-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
CID 172619622
5-tert-butyl-2-ethyltetrazole
CID 23395916
2-benzyl-5-(2,2-dimethylpropyl)tetrazole
CID 69033394
5-(4-bromophenyl)-2-[(4-tert-butylphenyl)methyl]tetrazole
CID 7490330
1-tert-butyl-4-ethenylbenzene
CID 15627
tert-butyl-[(4-ethenylphenyl)methyl]-dimethylsilane
CID 14790946

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole?
The IUPAC name of 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole (CID 172619573) is 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole.
What is the SMILES notation for 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole?
The canonical SMILES for 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole is C=Cc1ccc(Cn2nnc(C(C)(C)C)n2)cc1.
What is the InChIKey of 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole?
The InChIKey is BFNGVUSOGPQSSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-5-11-6-8-12(9-7-11)10-18-16-13(15-17-18)14(2,3)4/h5-9H,1,10H2,2-4H3.
What are the key properties of 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole?
5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole has a molecular weight of 242.33 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(4-ethenylphenyl)methyl]tetrazole is sourced from PubChem (CID 172619573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).