1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride

C5H10ClN3O — CID 68733692

IUPAC1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCc1nc(C(C)N)no1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-3(6)5-7-4(2)9-8-5;/h3H,6H2,1-2H3;1H
InChIKeyYRFQYNOIIKXUJM-UHFFFAOYSA-N
MW163.61 g/mol
LogP0.82
Rot. Bonds1

About 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride

1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (PubChem CID 68733692) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
PubChem CID68733692
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Name1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCc1nc(C(C)N)no1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-3(6)5-7-4(2)9-8-5;/h3H,6H2,1-2H3;1H
InChIKeyYRFQYNOIIKXUJM-UHFFFAOYSA-N
XLogP0.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (CID 68733692) is 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is Cc1nc(C(C)N)no1.Cl.
What is the InChIKey of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The InChIKey is YRFQYNOIIKXUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.ClH/c1-3(6)5-7-4(2)9-8-5;/h3H,6H2,1-2H3;1H.
What are the key properties of 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 68733692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).