4-(3-ethenylphenoxy)-5-ethyl-2H-triazole

C12H13N3O — CID 155653465

IUPAC4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
SMILESC=Cc1cccc(Oc2n[nH]nc2CC)c1
InChIInChI=1S/C12H13N3O/c1-3-9-6-5-7-10(8-9)16-12-11(4-2)13-15-14-12/h3,5-8H,1,4H2,2H3,(H,13,14,15)
InChIKeyRNKHYEIJKOBWIF-UHFFFAOYSA-N
MW215.26 g/mol
LogP2.80
Rot. Bonds4

About 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole

4-(3-ethenylphenoxy)-5-ethyl-2H-triazole (PubChem CID 155653465) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole.

Molecular Properties

Compound Name4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
PubChem CID155653465
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name4-(3-ethenylphenoxy)-5-ethyl-2H-triazole
SMILESC=Cc1cccc(Oc2n[nH]nc2CC)c1
InChIInChI=1S/C12H13N3O/c1-3-9-6-5-7-10(8-9)16-12-11(4-2)13-15-14-12/h3,5-8H,1,4H2,2H3,(H,13,14,15)
InChIKeyRNKHYEIJKOBWIF-UHFFFAOYSA-N
XLogP2.80
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
The IUPAC name of 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole (CID 155653465) is 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole.
What is the SMILES notation for 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
The canonical SMILES for 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole is C=Cc1cccc(Oc2n[nH]nc2CC)c1.
What is the InChIKey of 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
The InChIKey is RNKHYEIJKOBWIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-3-9-6-5-7-10(8-9)16-12-11(4-2)13-15-14-12/h3,5-8H,1,4H2,2H3,(H,13,14,15).
What are the key properties of 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole?
4-(3-ethenylphenoxy)-5-ethyl-2H-triazole has a molecular weight of 215.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-ethenylphenoxy)-5-ethyl-2H-triazole is sourced from PubChem (CID 155653465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).