4-ethyl-1,2,3,5-oxatriazole

C3H5N3O — CID 142243302

IUPAC4-ethyl-1,2,3,5-oxatriazole
SMILESCCc1nnon1
InChIInChI=1S/C3H5N3O/c1-2-3-4-6-7-5-3/h2H2,1H3
InChIKeyJOGOYSBWANBROZ-UHFFFAOYSA-N
MW99.09 g/mol
LogP0.03
Rot. Bonds1

About 4-ethyl-1,2,3,5-oxatriazole

4-ethyl-1,2,3,5-oxatriazole (PubChem CID 142243302) has the molecular formula C3H5N3O and a molecular weight of 99.09 g/mol. Its IUPAC name is 4-ethyl-1,2,3,5-oxatriazole.

Molecular Properties

Compound Name4-ethyl-1,2,3,5-oxatriazole
PubChem CID142243302
Molecular FormulaC3H5N3O
Molecular Weight99.09 g/mol
Exact Mass99.04
IUPAC Name4-ethyl-1,2,3,5-oxatriazole
SMILESCCc1nnon1
InChIInChI=1S/C3H5N3O/c1-2-3-4-6-7-5-3/h2H2,1H3
InChIKeyJOGOYSBWANBROZ-UHFFFAOYSA-N
XLogP0.03
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.09
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,2,3,5-oxatriazole?
The IUPAC name of 4-ethyl-1,2,3,5-oxatriazole (CID 142243302) is 4-ethyl-1,2,3,5-oxatriazole.
What is the SMILES notation for 4-ethyl-1,2,3,5-oxatriazole?
The canonical SMILES for 4-ethyl-1,2,3,5-oxatriazole is CCc1nnon1.
What is the InChIKey of 4-ethyl-1,2,3,5-oxatriazole?
The InChIKey is JOGOYSBWANBROZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5N3O/c1-2-3-4-6-7-5-3/h2H2,1H3.
What are the key properties of 4-ethyl-1,2,3,5-oxatriazole?
4-ethyl-1,2,3,5-oxatriazole has a molecular weight of 99.09 g/mol, XLogP of 0.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,2,3,5-oxatriazole is sourced from PubChem (CID 142243302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).