4-ethenyl-1-(4-methoxyphenyl)triazole

C11H11N3O — CID 53473128

IUPAC4-ethenyl-1-(4-methoxyphenyl)triazole
SMILESC=Cc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C11H11N3O/c1-3-9-8-14(13-12-9)10-4-6-11(15-2)7-5-10/h3-8H,1H2,2H3
InChIKeyHHTBLNKCLMOBIP-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.92
Rot. Bonds3

About 4-ethenyl-1-(4-methoxyphenyl)triazole

4-ethenyl-1-(4-methoxyphenyl)triazole (PubChem CID 53473128) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-ethenyl-1-(4-methoxyphenyl)triazole.

Molecular Properties

Compound Name4-ethenyl-1-(4-methoxyphenyl)triazole
PubChem CID53473128
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name4-ethenyl-1-(4-methoxyphenyl)triazole
SMILESC=Cc1cn(-c2ccc(OC)cc2)nn1
InChIInChI=1S/C11H11N3O/c1-3-9-8-14(13-12-9)10-4-6-11(15-2)7-5-10/h3-8H,1H2,2H3
InChIKeyHHTBLNKCLMOBIP-UHFFFAOYSA-N
XLogP1.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(4-methoxyphenyl)triazole?
The IUPAC name of 4-ethenyl-1-(4-methoxyphenyl)triazole (CID 53473128) is 4-ethenyl-1-(4-methoxyphenyl)triazole.
What is the SMILES notation for 4-ethenyl-1-(4-methoxyphenyl)triazole?
The canonical SMILES for 4-ethenyl-1-(4-methoxyphenyl)triazole is C=Cc1cn(-c2ccc(OC)cc2)nn1.
What is the InChIKey of 4-ethenyl-1-(4-methoxyphenyl)triazole?
The InChIKey is HHTBLNKCLMOBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-3-9-8-14(13-12-9)10-4-6-11(15-2)7-5-10/h3-8H,1H2,2H3.
What are the key properties of 4-ethenyl-1-(4-methoxyphenyl)triazole?
4-ethenyl-1-(4-methoxyphenyl)triazole has a molecular weight of 201.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(4-methoxyphenyl)triazole is sourced from PubChem (CID 53473128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).