4-(phenoxymethyl)-1-phenyltriazole

C15H13N3O — CID 851737

IUPAC4-(phenoxymethyl)-1-phenyltriazole
SMILESc1ccc(OCc2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-3-7-14(8-4-1)18-11-13(16-17-18)12-19-15-9-5-2-6-10-15/h1-11H,12H2
InChIKeyYAMKQOLLUFRTQD-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.85
Rot. Bonds4

About 4-(phenoxymethyl)-1-phenyltriazole

4-(phenoxymethyl)-1-phenyltriazole (PubChem CID 851737) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 4-(phenoxymethyl)-1-phenyltriazole.

Molecular Properties

Compound Name4-(phenoxymethyl)-1-phenyltriazole
PubChem CID851737
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name4-(phenoxymethyl)-1-phenyltriazole
SMILESc1ccc(OCc2cn(-c3ccccc3)nn2)cc1
InChIInChI=1S/C15H13N3O/c1-3-7-14(8-4-1)18-11-13(16-17-18)12-19-15-9-5-2-6-10-15/h1-11H,12H2
InChIKeyYAMKQOLLUFRTQD-UHFFFAOYSA-N
XLogP2.85
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-1-phenyltriazole?
The IUPAC name of 4-(phenoxymethyl)-1-phenyltriazole (CID 851737) is 4-(phenoxymethyl)-1-phenyltriazole.
What is the SMILES notation for 4-(phenoxymethyl)-1-phenyltriazole?
The canonical SMILES for 4-(phenoxymethyl)-1-phenyltriazole is c1ccc(OCc2cn(-c3ccccc3)nn2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-1-phenyltriazole?
The InChIKey is YAMKQOLLUFRTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-3-7-14(8-4-1)18-11-13(16-17-18)12-19-15-9-5-2-6-10-15/h1-11H,12H2.
What are the key properties of 4-(phenoxymethyl)-1-phenyltriazole?
4-(phenoxymethyl)-1-phenyltriazole has a molecular weight of 251.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-1-phenyltriazole is sourced from PubChem (CID 851737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).