5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

C10H15N7O — CID 116808315

IUPAC5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C10H15N7O/c1-3-16(2)10-12-9(18-14-10)8-6-17(15-13-8)7-4-11-5-7/h6-7,11H,3-5H2,1-2H3
InChIKeyATGRLMAQFLGVKV-UHFFFAOYSA-N
MW249.28 g/mol
LogP-0.07
Rot. Bonds4

About 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine

5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (PubChem CID 116808315) has the molecular formula C10H15N7O and a molecular weight of 249.28 g/mol. Its IUPAC name is 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound Name5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
PubChem CID116808315
Molecular FormulaC10H15N7O
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine
SMILESCCN(C)c1noc(-c2cn(C3CNC3)nn2)n1
InChIInChI=1S/C10H15N7O/c1-3-16(2)10-12-9(18-14-10)8-6-17(15-13-8)7-4-11-5-7/h6-7,11H,3-5H2,1-2H3
InChIKeyATGRLMAQFLGVKV-UHFFFAOYSA-N
XLogP-0.07
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine 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]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine (CID 116808315) is 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is CCN(C)c1noc(-c2cn(C3CNC3)nn2)n1.
What is the InChIKey of 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
The InChIKey is ATGRLMAQFLGVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N7O/c1-3-16(2)10-12-9(18-14-10)8-6-17(15-13-8)7-4-11-5-7/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine?
5-[1-(azetidin-3-yl)triazol-4-yl]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine has a molecular weight of 249.28 g/mol, XLogP of -0.07, 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]-N-ethyl-N-methyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 116808315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).