5-ethenyl-1-(ethoxymethyl)triazole

C7H11N3O — CID 22616280

IUPAC5-ethenyl-1-(ethoxymethyl)triazole
SMILESC=Cc1cnnn1COCC
InChIInChI=1S/C7H11N3O/c1-3-7-5-8-9-10(7)6-11-4-2/h3,5H,1,4,6H2,2H3
InChIKeyJYJZYCRSBJCGSE-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.92
Rot. Bonds4

About 5-ethenyl-1-(ethoxymethyl)triazole

5-ethenyl-1-(ethoxymethyl)triazole (PubChem CID 22616280) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 5-ethenyl-1-(ethoxymethyl)triazole.

Molecular Properties

Compound Name5-ethenyl-1-(ethoxymethyl)triazole
PubChem CID22616280
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name5-ethenyl-1-(ethoxymethyl)triazole
SMILESC=Cc1cnnn1COCC
InChIInChI=1S/C7H11N3O/c1-3-7-5-8-9-10(7)6-11-4-2/h3,5H,1,4,6H2,2H3
InChIKeyJYJZYCRSBJCGSE-UHFFFAOYSA-N
XLogP0.92
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-1-(ethoxymethyl)triazole?
The IUPAC name of 5-ethenyl-1-(ethoxymethyl)triazole (CID 22616280) is 5-ethenyl-1-(ethoxymethyl)triazole.
What is the SMILES notation for 5-ethenyl-1-(ethoxymethyl)triazole?
The canonical SMILES for 5-ethenyl-1-(ethoxymethyl)triazole is C=Cc1cnnn1COCC.
What is the InChIKey of 5-ethenyl-1-(ethoxymethyl)triazole?
The InChIKey is JYJZYCRSBJCGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-3-7-5-8-9-10(7)6-11-4-2/h3,5H,1,4,6H2,2H3.
What are the key properties of 5-ethenyl-1-(ethoxymethyl)triazole?
5-ethenyl-1-(ethoxymethyl)triazole has a molecular weight of 153.18 g/mol, XLogP of 0.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-1-(ethoxymethyl)triazole is sourced from PubChem (CID 22616280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).