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

C20H16N4S — CID 758286

IUPAC4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4S/c1-3-7-16(8-4-1)15-25-20-23-22-19(17-11-13-21-14-12-17)24(20)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyANYBMXYKWKYTSX-UHFFFAOYSA-N
MW344.44 g/mol
LogP4.62
Rot. Bonds5

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

4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 758286) has the molecular formula C20H16N4S and a molecular weight of 344.44 g/mol. Its IUPAC name is 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
PubChem CID758286
Molecular FormulaC20H16N4S
Molecular Weight344.44 g/mol
Exact Mass344.11
IUPAC Name4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1
InChIInChI=1S/C20H16N4S/c1-3-7-16(8-4-1)15-25-20-23-22-19(17-11-13-21-14-12-17)24(20)18-9-5-2-6-10-18/h1-14H,15H2
InChIKeyANYBMXYKWKYTSX-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

4-[5-benzylsulfanyl-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]pyridine
CID 4014314
3-benzylsulfanyl-5-(4-fluorophenyl)-4-phenyl-1,2,4-triazole
CID 2358983
3-benzylsulfanyl-5-pyridin-4-yl-1,2,4-triazol-4-amine
CID 807941
4-[4-(4-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1418425
4-(4-benzyl-5-benzylsulfanyl-1,2,4-triazol-3-yl)pyridine
CID 4596790
3-[[4-(4-fluorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]pyridine
CID 1169609
3-[(3-methylphenyl)methylsulfanyl]-4,5-diphenyl-1,2,4-triazole
CID 3949955
4-[4-(4-bromophenyl)-5-[(4-fluorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]pyridine
CID 1418868
3-[5-[(4-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]pyridine
CID 1156631
4-[4-(4-chlorophenyl)-5-(naphthalen-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]pyridine
CID 126109039
3-benzylsulfanyl-5-(2-chlorophenyl)-4-phenyl-1,2,4-triazole
CID 2223427
3-(3-methylphenyl)-5-[(3-methylphenyl)methylsulfanyl]-4-phenyl-1,2,4-triazole
CID 7205567

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine (CID 758286) is 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine is c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1.
What is the InChIKey of 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is ANYBMXYKWKYTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4S/c1-3-7-16(8-4-1)15-25-20-23-22-19(17-11-13-21-14-12-17)24(20)18-9-5-2-6-10-18/h1-14H,15H2.
What are the key properties of 4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
4-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)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-(5-benzylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 758286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).