5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride

C7H13ClN4O — CID 146049926

IUPAC5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
SMILESCN(C)c1noc(C2CNC2)n1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-11(2)7-9-6(12-10-7)5-3-8-4-5;/h5,8H,3-4H2,1-2H3;1H
InChIKeyWFCYMLSRTCUHOY-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.24
Rot. Bonds2

About 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride

5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride (PubChem CID 146049926) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
PubChem CID146049926
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride
SMILESCN(C)c1noc(C2CNC2)n1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-11(2)7-9-6(12-10-7)5-3-8-4-5;/h5,8H,3-4H2,1-2H3;1H
InChIKeyWFCYMLSRTCUHOY-UHFFFAOYSA-N
XLogP0.24
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride (CID 146049926) is 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride is CN(C)c1noc(C2CNC2)n1.Cl.
What is the InChIKey of 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride?
The InChIKey is WFCYMLSRTCUHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-11(2)7-9-6(12-10-7)5-3-8-4-5;/h5,8H,3-4H2,1-2H3;1H.
What are the key properties of 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride?
5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine;hydrochloride is sourced from PubChem (CID 146049926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).