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

C15H14N4S — CID 664949

IUPAC4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine
SMILESCn1c(SCc2ccccc2)nnc1-c1ccncc1
InChIInChI=1S/C15H14N4S/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyWDMMTZDSTCLQFC-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.17
Rot. Bonds4

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

4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 664949) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine
PubChem CID664949
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine
SMILESCn1c(SCc2ccccc2)nnc1-c1ccncc1
InChIInChI=1S/C15H14N4S/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyWDMMTZDSTCLQFC-UHFFFAOYSA-N
XLogP3.17
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-(5-benzylsulfanyl-4-methyl-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

Related Compounds

4-(4-Methyl-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 937411
2-(Benzylsulfanyl)[1,2,4]triazolo[1,5-a]pyrimidine
CID 14155083
4-(5-(Benzylthio)-4-(4-bromophenyl)-4H-1,2,4-triazol-3-YL)pyridine
CID 1410239
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
3-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
4-(5-((4-Fluorobenzyl)thio)-4-methyl-4H-1,2,4-triazol-3-YL)pyridine
CID 937714
N-(4-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9796249
N-(4-methylphenyl)-5-[(pyridin-2-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 9817701
N-(2-methylphenyl)-5-[(pyridin-4-ylmethyl)sulfanyl]-4H-1,2,4-triazol-3-amine
CID 16757241
6-(2-chlorophenyl)-3-pyridin-4-yl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine
CID 665851
CID 121315244
CID 121315244
2-(4-Methyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-phenyl-ethanone
CID 938135

Frequently Asked Questions

What is the IUPAC name of 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine (CID 664949) is 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine is Cn1c(SCc2ccccc2)nnc1-c1ccncc1.
What is the InChIKey of 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is WDMMTZDSTCLQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-19-14(13-7-9-16-10-8-13)17-18-15(19)20-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine?
4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 282.37 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-benzylsulfanyl-4-methyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 664949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).