1-(oxan-2-ylmethyl)-5-phenyltriazole

C14H17N3O — CID 164666926

IUPAC1-(oxan-2-ylmethyl)-5-phenyltriazole
SMILESc1ccc(-c2cnnn2CC2CCCCO2)cc1
InChIInChI=1S/C14H17N3O/c1-2-6-12(7-3-1)14-10-15-16-17(14)11-13-8-4-5-9-18-13/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyZUZYHAAVJINEBS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.51
Rot. Bonds3

About 1-(oxan-2-ylmethyl)-5-phenyltriazole

1-(oxan-2-ylmethyl)-5-phenyltriazole (PubChem CID 164666926) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(oxan-2-ylmethyl)-5-phenyltriazole.

Molecular Properties

Compound Name1-(oxan-2-ylmethyl)-5-phenyltriazole
PubChem CID164666926
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(oxan-2-ylmethyl)-5-phenyltriazole
SMILESc1ccc(-c2cnnn2CC2CCCCO2)cc1
InChIInChI=1S/C14H17N3O/c1-2-6-12(7-3-1)14-10-15-16-17(14)11-13-8-4-5-9-18-13/h1-3,6-7,10,13H,4-5,8-9,11H2
InChIKeyZUZYHAAVJINEBS-UHFFFAOYSA-N
XLogP2.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(oxan-2-ylmethyl)-5-phenyltriazole?
The IUPAC name of 1-(oxan-2-ylmethyl)-5-phenyltriazole (CID 164666926) is 1-(oxan-2-ylmethyl)-5-phenyltriazole.
What is the SMILES notation for 1-(oxan-2-ylmethyl)-5-phenyltriazole?
The canonical SMILES for 1-(oxan-2-ylmethyl)-5-phenyltriazole is c1ccc(-c2cnnn2CC2CCCCO2)cc1.
What is the InChIKey of 1-(oxan-2-ylmethyl)-5-phenyltriazole?
The InChIKey is ZUZYHAAVJINEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-6-12(7-3-1)14-10-15-16-17(14)11-13-8-4-5-9-18-13/h1-3,6-7,10,13H,4-5,8-9,11H2.
What are the key properties of 1-(oxan-2-ylmethyl)-5-phenyltriazole?
1-(oxan-2-ylmethyl)-5-phenyltriazole has a molecular weight of 243.31 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-2-ylmethyl)-5-phenyltriazole is sourced from PubChem (CID 164666926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).