1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole

C16H16N4O2 — CID 665835

IUPAC1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole
SMILESCCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H16N4O2/c1-3-22-15-6-4-5-13(11-15)20-16(17-18-19-20)12-7-9-14(21-2)10-8-12/h4-11H,3H2,1-2H3
InChIKeyZLAZENKFQYTDGL-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.74
Rot. Bonds5

About 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole

1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole (PubChem CID 665835) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole
PubChem CID665835
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole
SMILESCCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1
InChIInChI=1S/C16H16N4O2/c1-3-22-15-6-4-5-13(11-15)20-16(17-18-19-20)12-7-9-14(21-2)10-8-12/h4-11H,3H2,1-2H3
InChIKeyZLAZENKFQYTDGL-UHFFFAOYSA-N
XLogP2.74
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
The IUPAC name of 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole (CID 665835) is 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole.
What is the SMILES notation for 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
The canonical SMILES for 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole is CCOc1cccc(-n2nnnc2-c2ccc(OC)cc2)c1.
What is the InChIKey of 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
The InChIKey is ZLAZENKFQYTDGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-22-15-6-4-5-13(11-15)20-16(17-18-19-20)12-7-9-14(21-2)10-8-12/h4-11H,3H2,1-2H3.
What are the key properties of 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole?
1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole has a molecular weight of 296.33 g/mol, XLogP of 2.74, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxyphenyl)-5-(4-methoxyphenyl)tetrazole is sourced from PubChem (CID 665835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).