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

C9H12Cl2N4O — CID 71758735

IUPAC2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc(-c2ccncc2)no1
InChIInChI=1S/C9H10N4O.2ClH/c10-4-1-8-12-9(13-14-8)7-2-5-11-6-3-7;;/h2-3,5-6H,1,4,10H2;2*1H
InChIKeyXSWQMQVFIBIMMZ-UHFFFAOYSA-N
MW263.13 g/mol
LogP1.48
Rot. Bonds3

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

2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride (PubChem CID 71758735) has the molecular formula C9H12Cl2N4O and a molecular weight of 263.13 g/mol. Its IUPAC name is 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride
PubChem CID71758735
Molecular FormulaC9H12Cl2N4O
Molecular Weight263.13 g/mol
Exact Mass262.04
IUPAC Name2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride
SMILESCl.Cl.NCCc1nc(-c2ccncc2)no1
InChIInChI=1S/C9H10N4O.2ClH/c10-4-1-8-12-9(13-14-8)7-2-5-11-6-3-7;;/h2-3,5-6H,1,4,10H2;2*1H
InChIKeyXSWQMQVFIBIMMZ-UHFFFAOYSA-N
XLogP1.48
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.13
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride (CID 71758735) is 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride is Cl.Cl.NCCc1nc(-c2ccncc2)no1.
What is the InChIKey of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride?
The InChIKey is XSWQMQVFIBIMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O.2ClH/c10-4-1-8-12-9(13-14-8)7-2-5-11-6-3-7;;/h2-3,5-6H,1,4,10H2;2*1H.
What are the key properties of 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride?
2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride has a molecular weight of 263.13 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 71758735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).