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

C5H10ClN3O — CID 46736056

IUPAC2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCc1noc(CCN)n1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-4-7-5(2-3-6)9-8-4;/h2-3,6H2,1H3;1H
InChIKeyGIUPTEOOBIVWNZ-UHFFFAOYSA-N
MW163.61 g/mol
LogP0.30
Rot. Bonds2

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

2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 46736056) has the molecular formula C5H10ClN3O and a molecular weight of 163.61 g/mol. Its IUPAC name is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID46736056
Molecular FormulaC5H10ClN3O
Molecular Weight163.61 g/mol
Exact Mass163.05
IUPAC Name2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCc1noc(CCN)n1.Cl
InChIInChI=1S/C5H9N3O.ClH/c1-4-7-5(2-3-6)9-8-4;/h2-3,6H2,1H3;1H
InChIKeyGIUPTEOOBIVWNZ-UHFFFAOYSA-N
XLogP0.30
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.61
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 46736056) is 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is Cc1noc(CCN)n1.Cl.
What is the InChIKey of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is GIUPTEOOBIVWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.ClH/c1-4-7-5(2-3-6)9-8-4;/h2-3,6H2,1H3;1H.
What are the key properties of 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 163.61 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 46736056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).