5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole

C19H15N3OS — CID 138006139

IUPAC5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole
SMILESCOc1ccc(-c2nc(-c3ccsc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H15N3OS/c1-23-17-9-7-14(8-10-17)19-20-18(15-11-12-24-13-15)21-22(19)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyXRSDPVAHTVNYMQ-UHFFFAOYSA-N
MW333.42 g/mol
LogP4.67
Rot. Bonds4

About 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole

5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole (PubChem CID 138006139) has the molecular formula C19H15N3OS and a molecular weight of 333.42 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole
PubChem CID138006139
Molecular FormulaC19H15N3OS
Molecular Weight333.42 g/mol
Exact Mass333.09
IUPAC Name5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole
SMILESCOc1ccc(-c2nc(-c3ccsc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C19H15N3OS/c1-23-17-9-7-14(8-10-17)19-20-18(15-11-12-24-13-15)21-22(19)16-5-3-2-4-6-16/h2-13H,1H3
InChIKeyXRSDPVAHTVNYMQ-UHFFFAOYSA-N
XLogP4.67
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole?
The IUPAC name of 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole (CID 138006139) is 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole?
The canonical SMILES for 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole is COc1ccc(-c2nc(-c3ccsc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole?
The InChIKey is XRSDPVAHTVNYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3OS/c1-23-17-9-7-14(8-10-17)19-20-18(15-11-12-24-13-15)21-22(19)16-5-3-2-4-6-16/h2-13H,1H3.
What are the key properties of 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole?
5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole has a molecular weight of 333.42 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-phenyl-3-thiophen-3-yl-1,2,4-triazole is sourced from PubChem (CID 138006139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).