5-ethyl-1-(2-propoxyphenyl)tetrazole

C12H16N4O — CID 23118004

IUPAC5-ethyl-1-(2-propoxyphenyl)tetrazole
SMILESCCCOc1ccccc1-n1nnnc1CC
InChIInChI=1S/C12H16N4O/c1-3-9-17-11-8-6-5-7-10(11)16-12(4-2)13-14-15-16/h5-8H,3-4,9H2,1-2H3
InChIKeyLWXVGOCUXBRROB-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.01
Rot. Bonds5

About 5-ethyl-1-(2-propoxyphenyl)tetrazole

5-ethyl-1-(2-propoxyphenyl)tetrazole (PubChem CID 23118004) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-ethyl-1-(2-propoxyphenyl)tetrazole.

Molecular Properties

Compound Name5-ethyl-1-(2-propoxyphenyl)tetrazole
PubChem CID23118004
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-ethyl-1-(2-propoxyphenyl)tetrazole
SMILESCCCOc1ccccc1-n1nnnc1CC
InChIInChI=1S/C12H16N4O/c1-3-9-17-11-8-6-5-7-10(11)16-12(4-2)13-14-15-16/h5-8H,3-4,9H2,1-2H3
InChIKeyLWXVGOCUXBRROB-UHFFFAOYSA-N
XLogP2.01
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(2-propoxyphenyl)tetrazole?
The IUPAC name of 5-ethyl-1-(2-propoxyphenyl)tetrazole (CID 23118004) is 5-ethyl-1-(2-propoxyphenyl)tetrazole.
What is the SMILES notation for 5-ethyl-1-(2-propoxyphenyl)tetrazole?
The canonical SMILES for 5-ethyl-1-(2-propoxyphenyl)tetrazole is CCCOc1ccccc1-n1nnnc1CC.
What is the InChIKey of 5-ethyl-1-(2-propoxyphenyl)tetrazole?
The InChIKey is LWXVGOCUXBRROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-3-9-17-11-8-6-5-7-10(11)16-12(4-2)13-14-15-16/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 5-ethyl-1-(2-propoxyphenyl)tetrazole?
5-ethyl-1-(2-propoxyphenyl)tetrazole has a molecular weight of 232.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-propoxyphenyl)tetrazole is sourced from PubChem (CID 23118004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).