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

C14H12N4S — CID 134860533

IUPAC4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nc(-c2ccncc2)nn1-c1ccccc1
InChIInChI=1S/C14H12N4S/c1-19-14-16-13(11-7-9-15-10-8-11)17-18(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyQYUCCQJRPLTOPU-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.05
Rot. Bonds3

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

4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 134860533) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
PubChem CID134860533
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nc(-c2ccncc2)nn1-c1ccccc1
InChIInChI=1S/C14H12N4S/c1-19-14-16-13(11-7-9-15-10-8-11)17-18(14)12-5-3-2-4-6-12/h2-10H,1H3
InChIKeyQYUCCQJRPLTOPU-UHFFFAOYSA-N
XLogP3.05
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
CID 134860589
1,3-diphenyl-5-pyridin-4-ylpyrazolo[4,3-d]pyrimidine
CID 57381040
1-methyl-4-(2-phenyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)piperidin-2-one
CID 155965920
2-(2,5-diphenyl-1,2,4-triazol-3-yl)pyridine
CID 102454692
5-methyl-1-(2,3,4,5,6-pentafluorophenyl)-3-phenyl-1,2,4-triazole
CID 24764267
1-[4-[(E)-2-[4-(3,5-diphenyl-1,2,4-triazol-1-yl)phenyl]ethenyl]phenyl]-3,5-diphenyl-1,2,4-triazole
CID 89201714
5-chloro-1-(4-fluorophenyl)-3-phenyl-1,2,4-triazole
CID 30032544
2-phenyl-4-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 149165836
1-methyl-5-[4-[5-[4-(1-methylindol-5-yl)phenyl]-1-phenyl-1,2,4-triazol-3-yl]phenyl]indole
CID 71029156
16-(4-chlorophenyl)-14-methyl-12-phenyl-4-pyridin-4-yl-10-oxa-3,5,6,8,12,13-hexazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),2,4,7,11(15),13-hexaene
CID 4888627
4-[(1,5-diphenyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine
CID 17288751
1-(5-methylsulfanyl-3-phenyl-1,2,4-triazol-1-yl)butan-1-one
CID 828558

Frequently Asked Questions

What is the IUPAC name of 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine (CID 134860533) is 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine is CSc1nc(-c2ccncc2)nn1-c1ccccc1.
What is the InChIKey of 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is QYUCCQJRPLTOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-19-14-16-13(11-7-9-15-10-8-11)17-18(14)12-5-3-2-4-6-12/h2-10H,1H3.
What are the key properties of 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 268.35 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 134860533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).