4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

C20H16N4S — CID 17288751

IUPAC4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESc1ccc(-c2nc(SCc3ccncc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4S/c1-3-7-17(8-4-1)19-22-20(25-15-16-11-13-21-14-12-16)23-24(19)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyZVOBNGCWVFXSRM-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.62
Rot. Bonds5

About 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine

4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (PubChem CID 17288751) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.

Molecular Properties

Compound Name4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
PubChem CID17288751
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC Name4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
SMILESc1ccc(-c2nc(SCc3ccncc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4S/c1-3-7-17(8-4-1)19-22-20(25-15-16-11-13-21-14-12-16)23-24(19)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyZVOBNGCWVFXSRM-UHFFFAOYSA-N
XLogP4.62
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,5-diphenyl-3-[[4-(trifluoromethyl)phenyl]methylsulfanyl]-1,2,4-triazole
CID 170653080
(2S)-3-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-1,1,1-trifluoropropan-2-ol
CID 6976085
2-(pyridin-4-ylmethylsulfanyl)pyrimidine
CID 13232441
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N,N-diethylacetamide
CID 17288729
N-tert-butyl-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288734
propan-2-yl 2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 17288856
2,4,6-tris(pyridin-4-ylmethylsulfanyl)-1,3,5-triazine;hydrate
CID 139067885
4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
CID 758286
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methylphenyl)acetamide
CID 17288710
N-(2,5-difluorophenyl)-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288806
N-[(3-chlorophenyl)methyl]-2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 17288792
2-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 17288834

Frequently Asked Questions

What is the IUPAC name of 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The IUPAC name of 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine (CID 17288751) is 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine.
What is the SMILES notation for 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The canonical SMILES for 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is c1ccc(-c2nc(SCc3ccncc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
The InChIKey is ZVOBNGCWVFXSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-3-7-17(8-4-1)19-22-20(25-15-16-11-13-21-14-12-16)23-24(19)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine?
4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine has a molecular weight of 344.44 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine is sourced from PubChem (CID 17288751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).