4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine

C17H12N4S — CID 648130

IUPAC4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C17H12N4S/c1-2-5-14(6-3-1)21-16(13-8-10-18-11-9-13)19-20-17(21)15-7-4-12-22-15/h1-12H
InChIKeyZBYIQHWLXOPTIF-UHFFFAOYSA-N
MW304.38 g/mol
LogP4.06
Rot. Bonds3

About 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine

4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine (PubChem CID 648130) has the molecular formula C17H12N4S and a molecular weight of 304.38 g/mol. Its IUPAC name is 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine
PubChem CID648130
Molecular FormulaC17H12N4S
Molecular Weight304.38 g/mol
Exact Mass304.08
IUPAC Name4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C17H12N4S/c1-2-5-14(6-3-1)21-16(13-8-10-18-11-9-13)19-20-17(21)15-7-4-12-22-15/h1-12H
InChIKeyZBYIQHWLXOPTIF-UHFFFAOYSA-N
XLogP4.06
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine (CID 648130) is 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine is c1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1.
What is the InChIKey of 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is ZBYIQHWLXOPTIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4S/c1-2-5-14(6-3-1)21-16(13-8-10-18-11-9-13)19-20-17(21)15-7-4-12-22-15/h1-12H.
What are the key properties of 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine?
4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 304.38 g/mol, XLogP of 4.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 648130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).