5-(azetidin-3-yloxy)-1H-indazole

C10H11N3O — CID 84661998

IUPAC5-(azetidin-3-yloxy)-1H-indazole
SMILESc1cc2[nH]ncc2cc1OC1CNC1
InChIInChI=1S/C10H11N3O/c1-2-10-7(4-12-13-10)3-8(1)14-9-5-11-6-9/h1-4,9,11H,5-6H2,(H,12,13)
InChIKeyPOJHPUJUMYGATM-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.91
Rot. Bonds2

About 5-(azetidin-3-yloxy)-1H-indazole

5-(azetidin-3-yloxy)-1H-indazole (PubChem CID 84661998) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-1H-indazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-1H-indazole
PubChem CID84661998
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name5-(azetidin-3-yloxy)-1H-indazole
SMILESc1cc2[nH]ncc2cc1OC1CNC1
InChIInChI=1S/C10H11N3O/c1-2-10-7(4-12-13-10)3-8(1)14-9-5-11-6-9/h1-4,9,11H,5-6H2,(H,12,13)
InChIKeyPOJHPUJUMYGATM-UHFFFAOYSA-N
XLogP0.91
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-1H-indazole?
The IUPAC name of 5-(azetidin-3-yloxy)-1H-indazole (CID 84661998) is 5-(azetidin-3-yloxy)-1H-indazole.
What is the SMILES notation for 5-(azetidin-3-yloxy)-1H-indazole?
The canonical SMILES for 5-(azetidin-3-yloxy)-1H-indazole is c1cc2[nH]ncc2cc1OC1CNC1.
What is the InChIKey of 5-(azetidin-3-yloxy)-1H-indazole?
The InChIKey is POJHPUJUMYGATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-2-10-7(4-12-13-10)3-8(1)14-9-5-11-6-9/h1-4,9,11H,5-6H2,(H,12,13).
What are the key properties of 5-(azetidin-3-yloxy)-1H-indazole?
5-(azetidin-3-yloxy)-1H-indazole has a molecular weight of 189.22 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-1H-indazole is sourced from PubChem (CID 84661998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).