5-(azetidin-3-yloxy)-1-methyltriazole

C6H10N4O — CID 126974503

IUPAC5-(azetidin-3-yloxy)-1-methyltriazole
SMILESCn1nncc1OC1CNC1
InChIInChI=1S/C6H10N4O/c1-10-6(4-8-9-10)11-5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKeyHOHYLBQCACLWKA-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.83
Rot. Bonds2

About 5-(azetidin-3-yloxy)-1-methyltriazole

5-(azetidin-3-yloxy)-1-methyltriazole (PubChem CID 126974503) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-1-methyltriazole.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-1-methyltriazole
PubChem CID126974503
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC Name5-(azetidin-3-yloxy)-1-methyltriazole
SMILESCn1nncc1OC1CNC1
InChIInChI=1S/C6H10N4O/c1-10-6(4-8-9-10)11-5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKeyHOHYLBQCACLWKA-UHFFFAOYSA-N
XLogP-0.83
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-1-methyltriazole?
The IUPAC name of 5-(azetidin-3-yloxy)-1-methyltriazole (CID 126974503) is 5-(azetidin-3-yloxy)-1-methyltriazole.
What is the SMILES notation for 5-(azetidin-3-yloxy)-1-methyltriazole?
The canonical SMILES for 5-(azetidin-3-yloxy)-1-methyltriazole is Cn1nncc1OC1CNC1.
What is the InChIKey of 5-(azetidin-3-yloxy)-1-methyltriazole?
The InChIKey is HOHYLBQCACLWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c1-10-6(4-8-9-10)11-5-2-7-3-5/h4-5,7H,2-3H2,1H3.
What are the key properties of 5-(azetidin-3-yloxy)-1-methyltriazole?
5-(azetidin-3-yloxy)-1-methyltriazole has a molecular weight of 154.17 g/mol, XLogP of -0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-1-methyltriazole is sourced from PubChem (CID 126974503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).