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

C7H12ClN3O — CID 53433643

IUPAC2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc(C2CC2)no1
InChIInChI=1S/C7H11N3O.ClH/c8-4-3-6-9-7(10-11-6)5-1-2-5;/h5H,1-4,8H2;1H
InChIKeyXHKLKJBMAKRYHM-UHFFFAOYSA-N
MW189.65 g/mol
LogP0.87
Rot. Bonds3

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

2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (PubChem CID 53433643) has the molecular formula C7H12ClN3O and a molecular weight of 189.65 g/mol. Its IUPAC name is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
PubChem CID53433643
Molecular FormulaC7H12ClN3O
Molecular Weight189.65 g/mol
Exact Mass189.07
IUPAC Name2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride
SMILESCl.NCCc1nc(C2CC2)no1
InChIInChI=1S/C7H11N3O.ClH/c8-4-3-6-9-7(10-11-6)5-1-2-5;/h5H,1-4,8H2;1H
InChIKeyXHKLKJBMAKRYHM-UHFFFAOYSA-N
XLogP0.87
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.65
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The IUPAC name of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride (CID 53433643) is 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The canonical SMILES for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is Cl.NCCc1nc(C2CC2)no1.
What is the InChIKey of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
The InChIKey is XHKLKJBMAKRYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O.ClH/c8-4-3-6-9-7(10-11-6)5-1-2-5;/h5H,1-4,8H2;1H.
What are the key properties of 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride?
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride has a molecular weight of 189.65 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethanamine;hydrochloride is sourced from PubChem (CID 53433643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).