1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

C10H13ClN4O2 — CID 119948388

IUPAC1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2noc(C(C)N)n2)cn1.Cl
InChIInChI=1S/C10H12N4O2.ClH/c1-6(11)10-13-9(14-16-10)7-3-4-8(15-2)12-5-7;/h3-6H,11H2,1-2H3;1H
InChIKeyOFRXNBJNHOWNCJ-UHFFFAOYSA-N
MW256.69 g/mol
LogP1.58
Rot. Bonds3

About 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride

1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (PubChem CID 119948388) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
PubChem CID119948388
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
SMILESCOc1ccc(-c2noc(C(C)N)n2)cn1.Cl
InChIInChI=1S/C10H12N4O2.ClH/c1-6(11)10-13-9(14-16-10)7-3-4-8(15-2)12-5-7;/h3-6H,11H2,1-2H3;1H
InChIKeyOFRXNBJNHOWNCJ-UHFFFAOYSA-N
XLogP1.58
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride (CID 119948388) is 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is COc1ccc(-c2noc(C(C)N)n2)cn1.Cl.
What is the InChIKey of 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
The InChIKey is OFRXNBJNHOWNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2.ClH/c1-6(11)10-13-9(14-16-10)7-3-4-8(15-2)12-5-7;/h3-6H,11H2,1-2H3;1H.
What are the key properties of 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride?
1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride has a molecular weight of 256.69 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(6-methoxy-3-pyridinyl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119948388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).