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

C4H8ClN3O — CID 71757666

IUPAC1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncon1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3(5)4-6-2-8-7-4;/h2-3H,5H2,1H3;1H
InChIKeyDDQSPXBBCLKUEA-UHFFFAOYSA-N
MW149.58 g/mol
LogP0.51
Rot. Bonds1

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

1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (PubChem CID 71757666) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
PubChem CID71757666
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCC(N)c1ncon1.Cl
InChIInChI=1S/C4H7N3O.ClH/c1-3(5)4-6-2-8-7-4;/h2-3H,5H2,1H3;1H
InChIKeyDDQSPXBBCLKUEA-UHFFFAOYSA-N
XLogP0.51
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (CID 71757666) is 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is CC(N)c1ncon1.Cl.
What is the InChIKey of 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The InChIKey is DDQSPXBBCLKUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-3(5)4-6-2-8-7-4;/h2-3H,5H2,1H3;1H.
What are the key properties of 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 71757666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).