1-(4-phenoxyphenyl)-1,2,4-triazole

C14H11N3O — CID 18326702

IUPAC1-(4-phenoxyphenyl)-1,2,4-triazole
SMILESc1ccc(Oc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C14H11N3O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)17-11-15-10-16-17/h1-11H
InChIKeyKTZMDQPLSBSJHA-UHFFFAOYSA-N
MW237.26 g/mol
LogP3.06
Rot. Bonds3

About 1-(4-phenoxyphenyl)-1,2,4-triazole

1-(4-phenoxyphenyl)-1,2,4-triazole (PubChem CID 18326702) has the molecular formula C14H11N3O and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(4-phenoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name1-(4-phenoxyphenyl)-1,2,4-triazole
PubChem CID18326702
Molecular FormulaC14H11N3O
Molecular Weight237.26 g/mol
Exact Mass237.09
IUPAC Name1-(4-phenoxyphenyl)-1,2,4-triazole
SMILESc1ccc(Oc2ccc(-n3cncn3)cc2)cc1
InChIInChI=1S/C14H11N3O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)17-11-15-10-16-17/h1-11H
InChIKeyKTZMDQPLSBSJHA-UHFFFAOYSA-N
XLogP3.06
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-phenoxyphenyl)-1,2,4-triazole?
The IUPAC name of 1-(4-phenoxyphenyl)-1,2,4-triazole (CID 18326702) is 1-(4-phenoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 1-(4-phenoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 1-(4-phenoxyphenyl)-1,2,4-triazole is c1ccc(Oc2ccc(-n3cncn3)cc2)cc1.
What is the InChIKey of 1-(4-phenoxyphenyl)-1,2,4-triazole?
The InChIKey is KTZMDQPLSBSJHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O/c1-2-4-13(5-3-1)18-14-8-6-12(7-9-14)17-11-15-10-16-17/h1-11H.
What are the key properties of 1-(4-phenoxyphenyl)-1,2,4-triazole?
1-(4-phenoxyphenyl)-1,2,4-triazole has a molecular weight of 237.26 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 18326702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).