5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole

C11H14N4O — CID 84683768

IUPAC5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole
SMILESCn1nnc2cc(OCC3CNC3)ccc21
InChIInChI=1S/C11H14N4O/c1-15-11-3-2-9(4-10(11)13-14-15)16-7-8-5-12-6-8/h2-4,8,12H,5-7H2,1H3
InChIKeyRMLRHTHYJQFUNX-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.57
Rot. Bonds3

About 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole

5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole (PubChem CID 84683768) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole.

Molecular Properties

Compound Name5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole
PubChem CID84683768
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole
SMILESCn1nnc2cc(OCC3CNC3)ccc21
InChIInChI=1S/C11H14N4O/c1-15-11-3-2-9(4-10(11)13-14-15)16-7-8-5-12-6-8/h2-4,8,12H,5-7H2,1H3
InChIKeyRMLRHTHYJQFUNX-UHFFFAOYSA-N
XLogP0.57
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole?
The IUPAC name of 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole (CID 84683768) is 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole.
What is the SMILES notation for 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole?
The canonical SMILES for 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole is Cn1nnc2cc(OCC3CNC3)ccc21.
What is the InChIKey of 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole?
The InChIKey is RMLRHTHYJQFUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-11-3-2-9(4-10(11)13-14-15)16-7-8-5-12-6-8/h2-4,8,12H,5-7H2,1H3.
What are the key properties of 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole?
5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole has a molecular weight of 218.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-ylmethoxy)-1-methylbenzotriazole is sourced from PubChem (CID 84683768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).