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

C9H11ClN4O — CID 50988726

IUPAC2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1noc(-c2ccccn2)n1
InChIInChI=1S/C9H10N4O.ClH/c10-5-4-8-12-9(14-13-8)7-3-1-2-6-11-7;/h1-3,6H,4-5,10H2;1H
InChIKeyVXKLEHPACJGQTI-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.05
Rot. Bonds3

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

2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (PubChem CID 50988726) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
PubChem CID50988726
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
SMILESCl.NCCc1noc(-c2ccccn2)n1
InChIInChI=1S/C9H10N4O.ClH/c10-5-4-8-12-9(14-13-8)7-3-1-2-6-11-7;/h1-3,6H,4-5,10H2;1H
InChIKeyVXKLEHPACJGQTI-UHFFFAOYSA-N
XLogP1.05
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
N'-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]piperidine-1-carboximidamide;hydroiodide
CID 111807439
1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111427089
2-[5-(2-iodophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61334113
1-(3,4-dimethylphenyl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111807375
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61323577
3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 176515486
2-methyl-1-(2-pyridin-2-ylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111762365
1-(6-methylheptan-2-yl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111807391
N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
CID 146482202
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
2-(5-quinoxalin-5-yl-1,2,4-oxadiazol-3-yl)ethanamine
CID 104615619

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride (CID 50988726) is 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is Cl.NCCc1noc(-c2ccccn2)n1.
What is the InChIKey of 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
The InChIKey is VXKLEHPACJGQTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.ClH/c10-5-4-8-12-9(14-13-8)7-3-1-2-6-11-7;/h1-3,6H,4-5,10H2;1H.
What are the key properties of 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride?
2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride has a molecular weight of 226.67 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride is sourced from PubChem (CID 50988726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).