5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride

C9H10ClN5O — CID 72716114

IUPAC5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cnc(-c2noc(C3CNC3)n2)nc1
InChIInChI=1S/C9H9N5O.ClH/c1-2-11-7(12-3-1)8-13-9(15-14-8)6-4-10-5-6;/h1-3,6,10H,4-5H2;1H
InChIKeyYMNQIYJOUFRATC-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.64
Rot. Bonds2

About 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride

5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride (PubChem CID 72716114) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride
PubChem CID72716114
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride
SMILESCl.c1cnc(-c2noc(C3CNC3)n2)nc1
InChIInChI=1S/C9H9N5O.ClH/c1-2-11-7(12-3-1)8-13-9(15-14-8)6-4-10-5-6;/h1-3,6,10H,4-5H2;1H
InChIKeyYMNQIYJOUFRATC-UHFFFAOYSA-N
XLogP0.64
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride (CID 72716114) is 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride is Cl.c1cnc(-c2noc(C3CNC3)n2)nc1.
What is the InChIKey of 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride?
The InChIKey is YMNQIYJOUFRATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O.ClH/c1-2-11-7(12-3-1)8-13-9(15-14-8)6-4-10-5-6;/h1-3,6,10H,4-5H2;1H.
What are the key properties of 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride?
5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride has a molecular weight of 239.67 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-pyrimidin-2-yl-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 72716114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).