1-ethenoxy-1,2,4-triazole

C4H5N3O — CID 150062689

IUPAC1-ethenoxy-1,2,4-triazole
SMILESC=COn1cncn1
InChIInChI=1S/C4H5N3O/c1-2-8-7-4-5-3-6-7/h2-4H,1H2
InChIKeyDNPXNUGMSREEDX-UHFFFAOYSA-N
MW111.10 g/mol
LogP-0.15
Rot. Bonds2

About 1-ethenoxy-1,2,4-triazole

1-ethenoxy-1,2,4-triazole (PubChem CID 150062689) has the molecular formula C4H5N3O and a molecular weight of 111.10 g/mol. Its IUPAC name is 1-ethenoxy-1,2,4-triazole.

Molecular Properties

Compound Name1-ethenoxy-1,2,4-triazole
PubChem CID150062689
Molecular FormulaC4H5N3O
Molecular Weight111.10 g/mol
Exact Mass111.04
IUPAC Name1-ethenoxy-1,2,4-triazole
SMILESC=COn1cncn1
InChIInChI=1S/C4H5N3O/c1-2-8-7-4-5-3-6-7/h2-4H,1H2
InChIKeyDNPXNUGMSREEDX-UHFFFAOYSA-N
XLogP-0.15
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.10
LogP ≤ 5-0.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,2,4-triazole?
The IUPAC name of 1-ethenoxy-1,2,4-triazole (CID 150062689) is 1-ethenoxy-1,2,4-triazole.
What is the SMILES notation for 1-ethenoxy-1,2,4-triazole?
The canonical SMILES for 1-ethenoxy-1,2,4-triazole is C=COn1cncn1.
What is the InChIKey of 1-ethenoxy-1,2,4-triazole?
The InChIKey is DNPXNUGMSREEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O/c1-2-8-7-4-5-3-6-7/h2-4H,1H2.
What are the key properties of 1-ethenoxy-1,2,4-triazole?
1-ethenoxy-1,2,4-triazole has a molecular weight of 111.10 g/mol, XLogP of -0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,2,4-triazole is sourced from PubChem (CID 150062689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).