1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole

C16H22N4 — CID 172619601

IUPAC1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole
SMILESC=Cc1ccc(Cn2nnnc2CCCCCC)cc1
InChIInChI=1S/C16H22N4/c1-3-5-6-7-8-16-17-18-19-20(16)13-15-11-9-14(4-2)10-12-15/h4,9-12H,2-3,5-8,13H2,1H3
InChIKeyZFIMBAXIEFDAAO-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.49
Rot. Bonds8

About 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole

1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole (PubChem CID 172619601) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole.

Molecular Properties

Compound Name1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole
PubChem CID172619601
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole
SMILESC=Cc1ccc(Cn2nnnc2CCCCCC)cc1
InChIInChI=1S/C16H22N4/c1-3-5-6-7-8-16-17-18-19-20(16)13-15-11-9-14(4-2)10-12-15/h4,9-12H,2-3,5-8,13H2,1H3
InChIKeyZFIMBAXIEFDAAO-UHFFFAOYSA-N
XLogP3.49
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[(4-ethenylphenyl)methyl]-5-pentylsulfanyltetrazole
CID 172619569
1-ethenyl-4-nonylbenzene;1-ethenyl-4-octylbenzene
CID 22646096
1-ethenyl-4-hexylbenzene
CID 21225742
[1-[(4-butylphenyl)methyl]tetrazol-5-yl]methanamine
CID 112518468
3-dodecyl-1-[(4-ethenylphenyl)methyl]-1,2,4-triazole
CID 172619669
2-[(4-ethenylphenyl)methyl]-5-hexylsulfanyltetrazole
CID 172619685
3-[1-[(4-chlorophenyl)methyl]tetrazol-5-yl]propan-1-amine
CID 82228424
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
1-ethenyl-4-hexylbenzene;1-ethenyl-4-(methoxymethyl)benzene
CID 157182704
1-[(4-ethenylphenyl)methyl]-N-(2H-tetrazol-5-yl)tetrazol-5-amine
CID 172619813
tributyl-[7-(4-ethenylphenyl)heptyl]phosphanium
CID 160536967

Frequently Asked Questions

What is the IUPAC name of 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole?
The IUPAC name of 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole (CID 172619601) is 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole.
What is the SMILES notation for 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole?
The canonical SMILES for 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole is C=Cc1ccc(Cn2nnnc2CCCCCC)cc1.
What is the InChIKey of 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole?
The InChIKey is ZFIMBAXIEFDAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-3-5-6-7-8-16-17-18-19-20(16)13-15-11-9-14(4-2)10-12-15/h4,9-12H,2-3,5-8,13H2,1H3.
What are the key properties of 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole?
1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole has a molecular weight of 270.38 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-ethenylphenyl)methyl]-5-hexyltetrazole is sourced from PubChem (CID 172619601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).