5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole

C10H14N6O2 — CID 79614409

IUPAC5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C10H14N6O2/c1-6(17-2)9-12-10(18-14-9)8-5-16(15-13-8)7-3-11-4-7/h5-7,11H,3-4H2,1-2H3
InChIKeyGIMIXNZXROWGPW-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.18
Rot. Bonds4

About 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole

5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole (PubChem CID 79614409) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
PubChem CID79614409
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole
SMILESCOC(C)c1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C10H14N6O2/c1-6(17-2)9-12-10(18-14-9)8-5-16(15-13-8)7-3-11-4-7/h5-7,11H,3-4H2,1-2H3
InChIKeyGIMIXNZXROWGPW-UHFFFAOYSA-N
XLogP0.18
TPSA90.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole (CID 79614409) is 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole is COC(C)c1noc(-c2cn(C3CNC3)nn2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
The InChIKey is GIMIXNZXROWGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-6(17-2)9-12-10(18-14-9)8-5-16(15-13-8)7-3-11-4-7/h5-7,11H,3-4H2,1-2H3.
What are the key properties of 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole?
5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole has a molecular weight of 250.26 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(azetidin-3-yl)triazol-4-yl]-3-(1-methoxyethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79614409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).