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

C4H8ClN3O — CID 71755598

IUPAC2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ncno1
InChIInChI=1S/C4H7N3O.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2;1H
InChIKeyCPMUAABITIHIMX-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.01
Rot. Bonds2

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

2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 71755598) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID71755598
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1ncno1
InChIInChI=1S/C4H7N3O.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2;1H
InChIKeyCPMUAABITIHIMX-UHFFFAOYSA-N
XLogP-0.01
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 71755598) is 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1ncno1.
What is the InChIKey of 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is CPMUAABITIHIMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c5-2-1-4-6-3-7-8-4;/h3H,1-2,5H2;1H.
What are the key properties of 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71755598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).