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

C14H10ClN3O — CID 63383812

IUPAC3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole
SMILESClc1nncn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H10ClN3O/c15-14-17-16-10-18(14)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H
InChIKeyUGDPVJLDYZOOPZ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.71
Rot. Bonds3

About 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole

3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole (PubChem CID 63383812) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole.

Molecular Properties

Compound Name3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole
PubChem CID63383812
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole
SMILESClc1nncn1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H10ClN3O/c15-14-17-16-10-18(14)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H
InChIKeyUGDPVJLDYZOOPZ-UHFFFAOYSA-N
XLogP3.71
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole?
The IUPAC name of 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole (CID 63383812) is 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole.
What is the SMILES notation for 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole?
The canonical SMILES for 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole is Clc1nncn1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole?
The InChIKey is UGDPVJLDYZOOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-14-17-16-10-18(14)11-6-8-13(9-7-11)19-12-4-2-1-3-5-12/h1-10H.
What are the key properties of 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole?
3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole has a molecular weight of 271.71 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(4-phenoxyphenyl)-1,2,4-triazole is sourced from PubChem (CID 63383812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).