1-(2,5-diethoxyphenyl)tetrazole

C11H14N4O2 — CID 864342

IUPAC1-(2,5-diethoxyphenyl)tetrazole
SMILESCCOc1ccc(OCC)c(-n2cnnn2)c1
InChIInChI=1S/C11H14N4O2/c1-3-16-9-5-6-11(17-4-2)10(7-9)15-8-12-13-14-15/h5-8H,3-4H2,1-2H3
InChIKeyDQHXNWSWWIXNND-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.46
Rot. Bonds5

About 1-(2,5-diethoxyphenyl)tetrazole

1-(2,5-diethoxyphenyl)tetrazole (PubChem CID 864342) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 1-(2,5-diethoxyphenyl)tetrazole.

Molecular Properties

Compound Name1-(2,5-diethoxyphenyl)tetrazole
PubChem CID864342
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name1-(2,5-diethoxyphenyl)tetrazole
SMILESCCOc1ccc(OCC)c(-n2cnnn2)c1
InChIInChI=1S/C11H14N4O2/c1-3-16-9-5-6-11(17-4-2)10(7-9)15-8-12-13-14-15/h5-8H,3-4H2,1-2H3
InChIKeyDQHXNWSWWIXNND-UHFFFAOYSA-N
XLogP1.46
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diethoxyphenyl)tetrazole?
The IUPAC name of 1-(2,5-diethoxyphenyl)tetrazole (CID 864342) is 1-(2,5-diethoxyphenyl)tetrazole.
What is the SMILES notation for 1-(2,5-diethoxyphenyl)tetrazole?
The canonical SMILES for 1-(2,5-diethoxyphenyl)tetrazole is CCOc1ccc(OCC)c(-n2cnnn2)c1.
What is the InChIKey of 1-(2,5-diethoxyphenyl)tetrazole?
The InChIKey is DQHXNWSWWIXNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-3-16-9-5-6-11(17-4-2)10(7-9)15-8-12-13-14-15/h5-8H,3-4H2,1-2H3.
What are the key properties of 1-(2,5-diethoxyphenyl)tetrazole?
1-(2,5-diethoxyphenyl)tetrazole has a molecular weight of 234.26 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diethoxyphenyl)tetrazole is sourced from PubChem (CID 864342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).