5-ethoxy-1-(4-methylphenyl)triazole

C11H13N3O — CID 121226547

IUPAC5-ethoxy-1-(4-methylphenyl)triazole
SMILESCCOc1cnnn1-c1ccc(C)cc1
InChIInChI=1S/C11H13N3O/c1-3-15-11-8-12-13-14(11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyAPOZMTYAYYFCIM-UHFFFAOYSA-N
MW203.24 g/mol
LogP1.97
Rot. Bonds3

About 5-ethoxy-1-(4-methylphenyl)triazole

5-ethoxy-1-(4-methylphenyl)triazole (PubChem CID 121226547) has the molecular formula C11H13N3O and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethoxy-1-(4-methylphenyl)triazole.

Molecular Properties

Compound Name5-ethoxy-1-(4-methylphenyl)triazole
PubChem CID121226547
Molecular FormulaC11H13N3O
Molecular Weight203.24 g/mol
Exact Mass203.11
IUPAC Name5-ethoxy-1-(4-methylphenyl)triazole
SMILESCCOc1cnnn1-c1ccc(C)cc1
InChIInChI=1S/C11H13N3O/c1-3-15-11-8-12-13-14(11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChIKeyAPOZMTYAYYFCIM-UHFFFAOYSA-N
XLogP1.97
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-methylphenyl)triazole?
The IUPAC name of 5-ethoxy-1-(4-methylphenyl)triazole (CID 121226547) is 5-ethoxy-1-(4-methylphenyl)triazole.
What is the SMILES notation for 5-ethoxy-1-(4-methylphenyl)triazole?
The canonical SMILES for 5-ethoxy-1-(4-methylphenyl)triazole is CCOc1cnnn1-c1ccc(C)cc1.
What is the InChIKey of 5-ethoxy-1-(4-methylphenyl)triazole?
The InChIKey is APOZMTYAYYFCIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-3-15-11-8-12-13-14(11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3.
What are the key properties of 5-ethoxy-1-(4-methylphenyl)triazole?
5-ethoxy-1-(4-methylphenyl)triazole has a molecular weight of 203.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-methylphenyl)triazole is sourced from PubChem (CID 121226547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).