1-[(3-phenoxyphenyl)methyl]triazole

C15H13N3O — CID 56680342

IUPAC1-[(3-phenoxyphenyl)methyl]triazole
SMILESc1ccc(Oc2cccc(Cn3ccnn3)c2)cc1
InChIInChI=1S/C15H13N3O/c1-2-6-14(7-3-1)19-15-8-4-5-13(11-15)12-18-10-9-16-17-18/h1-11H,12H2
InChIKeyKWZXKZNPJQWUQN-UHFFFAOYSA-N
MW251.29 g/mol
LogP3.12
Rot. Bonds4

About 1-[(3-phenoxyphenyl)methyl]triazole

1-[(3-phenoxyphenyl)methyl]triazole (PubChem CID 56680342) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-[(3-phenoxyphenyl)methyl]triazole.

Molecular Properties

Compound Name1-[(3-phenoxyphenyl)methyl]triazole
PubChem CID56680342
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-[(3-phenoxyphenyl)methyl]triazole
SMILESc1ccc(Oc2cccc(Cn3ccnn3)c2)cc1
InChIInChI=1S/C15H13N3O/c1-2-6-14(7-3-1)19-15-8-4-5-13(11-15)12-18-10-9-16-17-18/h1-11H,12H2
InChIKeyKWZXKZNPJQWUQN-UHFFFAOYSA-N
XLogP3.12
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 ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-phenoxyphenyl)methyl]triazole?
The IUPAC name of 1-[(3-phenoxyphenyl)methyl]triazole (CID 56680342) is 1-[(3-phenoxyphenyl)methyl]triazole.
What is the SMILES notation for 1-[(3-phenoxyphenyl)methyl]triazole?
The canonical SMILES for 1-[(3-phenoxyphenyl)methyl]triazole is c1ccc(Oc2cccc(Cn3ccnn3)c2)cc1.
What is the InChIKey of 1-[(3-phenoxyphenyl)methyl]triazole?
The InChIKey is KWZXKZNPJQWUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-2-6-14(7-3-1)19-15-8-4-5-13(11-15)12-18-10-9-16-17-18/h1-11H,12H2.
What are the key properties of 1-[(3-phenoxyphenyl)methyl]triazole?
1-[(3-phenoxyphenyl)methyl]triazole has a molecular weight of 251.29 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-phenoxyphenyl)methyl]triazole is sourced from PubChem (CID 56680342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).