1-(2-methoxyphenyl)-5-propyltetrazole

C11H14N4O — CID 23118002

IUPAC1-(2-methoxyphenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1ccccc1OC
InChIInChI=1S/C11H14N4O/c1-3-6-11-12-13-14-15(11)9-7-4-5-8-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyUXEHNMXAJOOZDQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.62
Rot. Bonds4

About 1-(2-methoxyphenyl)-5-propyltetrazole

1-(2-methoxyphenyl)-5-propyltetrazole (PubChem CID 23118002) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-5-propyltetrazole.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-5-propyltetrazole
PubChem CID23118002
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name1-(2-methoxyphenyl)-5-propyltetrazole
SMILESCCCc1nnnn1-c1ccccc1OC
InChIInChI=1S/C11H14N4O/c1-3-6-11-12-13-14-15(11)9-7-4-5-8-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyUXEHNMXAJOOZDQ-UHFFFAOYSA-N
XLogP1.62
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-5-propyltetrazole?
The IUPAC name of 1-(2-methoxyphenyl)-5-propyltetrazole (CID 23118002) is 1-(2-methoxyphenyl)-5-propyltetrazole.
What is the SMILES notation for 1-(2-methoxyphenyl)-5-propyltetrazole?
The canonical SMILES for 1-(2-methoxyphenyl)-5-propyltetrazole is CCCc1nnnn1-c1ccccc1OC.
What is the InChIKey of 1-(2-methoxyphenyl)-5-propyltetrazole?
The InChIKey is UXEHNMXAJOOZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-3-6-11-12-13-14-15(11)9-7-4-5-8-10(9)16-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-5-propyltetrazole?
1-(2-methoxyphenyl)-5-propyltetrazole has a molecular weight of 218.26 g/mol, XLogP of 1.62, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-5-propyltetrazole is sourced from PubChem (CID 23118002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).