1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride

C6H12ClN3O — CID 46737072

IUPAC1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
SMILESCCc1noc(CNC)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-3-5-8-6(4-7-2)10-9-5;/h7H,3-4H2,1-2H3;1H
InChIKeyXEKAKKXWCHYWDW-UHFFFAOYSA-N
MW177.64 g/mol
LogP0.77
Rot. Bonds3

About 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride

1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride (PubChem CID 46737072) has the molecular formula C6H12ClN3O and a molecular weight of 177.64 g/mol. Its IUPAC name is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride.

Molecular Properties

Compound Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
PubChem CID46737072
Molecular FormulaC6H12ClN3O
Molecular Weight177.64 g/mol
Exact Mass177.07
IUPAC Name1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride
SMILESCCc1noc(CNC)n1.Cl
InChIInChI=1S/C6H11N3O.ClH/c1-3-5-8-6(4-7-2)10-9-5;/h7H,3-4H2,1-2H3;1H
InChIKeyXEKAKKXWCHYWDW-UHFFFAOYSA-N
XLogP0.77
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.64
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 14742608
CID 14742608
CID 54592609
CID 54592609
CID 14742607
CID 14742607
CID 14742604
CID 14742604
CID 25219498
CID 25219498
CID 28063751
CID 28063751
CID 45791794
CID 45791794
CID 54592607
CID 54592607
CID 54594201
CID 54594201
CID 17604983
CID 17604983
CID 28063156
CID 28063156
CID 28063889
CID 28063889

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
The IUPAC name of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride (CID 46737072) is 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride.
What is the SMILES notation for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
The canonical SMILES for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride is CCc1noc(CNC)n1.Cl.
What is the InChIKey of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
The InChIKey is XEKAKKXWCHYWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O.ClH/c1-3-5-8-6(4-7-2)10-9-5;/h7H,3-4H2,1-2H3;1H.
What are the key properties of 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride?
1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride has a molecular weight of 177.64 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methylmethanamine;hydrochloride is sourced from PubChem (CID 46737072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).