2-[(4-ethenylphenyl)methyl]-5-propyltetrazole

C13H16N4 — CID 172619544

IUPAC2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
SMILESC=Cc1ccc(Cn2nnc(CCC)n2)cc1
InChIInChI=1S/C13H16N4/c1-3-5-13-14-16-17(15-13)10-12-8-6-11(4-2)7-9-12/h4,6-9H,2-3,5,10H2,1H3
InChIKeyQXSXWZUDCYVDBT-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.32
Rot. Bonds5

About 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole

2-[(4-ethenylphenyl)methyl]-5-propyltetrazole (PubChem CID 172619544) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole.

Molecular Properties

Compound Name2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
PubChem CID172619544
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name2-[(4-ethenylphenyl)methyl]-5-propyltetrazole
SMILESC=Cc1ccc(Cn2nnc(CCC)n2)cc1
InChIInChI=1S/C13H16N4/c1-3-5-13-14-16-17(15-13)10-12-8-6-11(4-2)7-9-12/h4,6-9H,2-3,5,10H2,1H3
InChIKeyQXSXWZUDCYVDBT-UHFFFAOYSA-N
XLogP2.32
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole?
The IUPAC name of 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole (CID 172619544) is 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole.
What is the SMILES notation for 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole?
The canonical SMILES for 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole is C=Cc1ccc(Cn2nnc(CCC)n2)cc1.
What is the InChIKey of 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole?
The InChIKey is QXSXWZUDCYVDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-5-13-14-16-17(15-13)10-12-8-6-11(4-2)7-9-12/h4,6-9H,2-3,5,10H2,1H3.
What are the key properties of 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole?
2-[(4-ethenylphenyl)methyl]-5-propyltetrazole has a molecular weight of 228.30 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-ethenylphenyl)methyl]-5-propyltetrazole is sourced from PubChem (CID 172619544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).