4-(3-prop-2-enoxyphenyl)-1,2,4-triazole

C11H11N3O — CID 91684259

IUPAC4-(3-prop-2-enoxyphenyl)-1,2,4-triazole
SMILESC=CCOc1cccc(-n2cnnc2)c1
InChIInChI=1S/C11H11N3O/c1-2-6-15-11-5-3-4-10(7-11)14-8-12-13-9-14/h2-5,7-9H,1,6H2
InChIKeyBZBGUODXQMHRJI-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.83
Rot. Bonds4

About 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole

4-(3-prop-2-enoxyphenyl)-1,2,4-triazole (PubChem CID 91684259) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name4-(3-prop-2-enoxyphenyl)-1,2,4-triazole
PubChem CID91684259
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-(3-prop-2-enoxyphenyl)-1,2,4-triazole
SMILESC=CCOc1cccc(-n2cnnc2)c1
InChIInChI=1S/C11H11N3O/c1-2-6-15-11-5-3-4-10(7-11)14-8-12-13-9-14/h2-5,7-9H,1,6H2
InChIKeyBZBGUODXQMHRJI-UHFFFAOYSA-N
XLogP1.83
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole?
The IUPAC name of 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole (CID 91684259) is 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole is C=CCOc1cccc(-n2cnnc2)c1.
What is the InChIKey of 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole?
The InChIKey is BZBGUODXQMHRJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-6-15-11-5-3-4-10(7-11)14-8-12-13-9-14/h2-5,7-9H,1,6H2.
What are the key properties of 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole?
4-(3-prop-2-enoxyphenyl)-1,2,4-triazole has a molecular weight of 201.23 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-prop-2-enoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 91684259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).