2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

C9H14N6O2 — CID 79613967

IUPAC2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESCOC(C)c1noc(-c2cn(CCN)nn2)n1
InChIInChI=1S/C9H14N6O2/c1-6(16-2)8-11-9(17-13-8)7-5-15(4-3-10)14-12-7/h5-6H,3-4,10H2,1-2H3
InChIKeyMNUHCXUPAUSXAG-UHFFFAOYSA-N
MW238.25 g/mol
LogP-0.01
Rot. Bonds5

About 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine

2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (PubChem CID 79613967) has the molecular formula C9H14N6O2 and a molecular weight of 238.25 g/mol. Its IUPAC name is 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
PubChem CID79613967
Molecular FormulaC9H14N6O2
Molecular Weight238.25 g/mol
Exact Mass238.12
IUPAC Name2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine
SMILESCOC(C)c1noc(-c2cn(CCN)nn2)n1
InChIInChI=1S/C9H14N6O2/c1-6(16-2)8-11-9(17-13-8)7-5-15(4-3-10)14-12-7/h5-6H,3-4,10H2,1-2H3
InChIKeyMNUHCXUPAUSXAG-UHFFFAOYSA-N
XLogP-0.01
TPSA104.88 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The IUPAC name of 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine (CID 79613967) is 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is COC(C)c1noc(-c2cn(CCN)nn2)n1.
What is the InChIKey of 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
The InChIKey is MNUHCXUPAUSXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6O2/c1-6(16-2)8-11-9(17-13-8)7-5-15(4-3-10)14-12-7/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine?
2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine has a molecular weight of 238.25 g/mol, XLogP of -0.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]triazol-1-yl]ethanamine is sourced from PubChem (CID 79613967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).