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

C5H11Cl2N3O — CID 170913375

IUPAC2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride
SMILESCc1nnc(CCN)o1.Cl.Cl
InChIInChI=1S/C5H9N3O.2ClH/c1-4-7-8-5(9-4)2-3-6;;/h2-3,6H2,1H3;2*1H
InChIKeyJWGUWWYQGWQUHT-UHFFFAOYSA-N
MW200.07 g/mol
LogP0.72
Rot. Bonds2

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

2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride (PubChem CID 170913375) has the molecular formula C5H11Cl2N3O and a molecular weight of 200.07 g/mol. Its IUPAC name is 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride
PubChem CID170913375
Molecular FormulaC5H11Cl2N3O
Molecular Weight200.07 g/mol
Exact Mass199.03
IUPAC Name2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride
SMILESCc1nnc(CCN)o1.Cl.Cl
InChIInChI=1S/C5H9N3O.2ClH/c1-4-7-8-5(9-4)2-3-6;;/h2-3,6H2,1H3;2*1H
InChIKeyJWGUWWYQGWQUHT-UHFFFAOYSA-N
XLogP0.72
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.07
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride (CID 170913375) is 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride is Cc1nnc(CCN)o1.Cl.Cl.
What is the InChIKey of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is JWGUWWYQGWQUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O.2ClH/c1-4-7-8-5(9-4)2-3-6;;/h2-3,6H2,1H3;2*1H.
What are the key properties of 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride?
2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 200.07 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,3,4-oxadiazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 170913375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).