4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine

C18H14N4S — CID 654415

IUPAC4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine
SMILESCc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C18H14N4S/c1-13-4-6-15(7-5-13)22-17(14-8-10-19-11-9-14)20-21-18(22)16-3-2-12-23-16/h2-12H,1H3
InChIKeyORZBMWATKXOTRM-UHFFFAOYSA-N
MW318.41 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine

4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine (PubChem CID 654415) has the molecular formula C18H14N4S and a molecular weight of 318.41 g/mol. Its IUPAC name is 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine
PubChem CID654415
Molecular FormulaC18H14N4S
Molecular Weight318.41 g/mol
Exact Mass318.09
IUPAC Name4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine
SMILESCc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1
InChIInChI=1S/C18H14N4S/c1-13-4-6-15(7-5-13)22-17(14-8-10-19-11-9-14)20-21-18(22)16-3-2-12-23-16/h2-12H,1H3
InChIKeyORZBMWATKXOTRM-UHFFFAOYSA-N
XLogP4.37
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine (CID 654415) is 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine is Cc1ccc(-n2c(-c3ccncc3)nnc2-c2cccs2)cc1.
What is the InChIKey of 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is ORZBMWATKXOTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4S/c1-13-4-6-15(7-5-13)22-17(14-8-10-19-11-9-14)20-21-18(22)16-3-2-12-23-16/h2-12H,1H3.
What are the key properties of 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine?
4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 318.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 654415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).