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

C14H12N4S — CID 134860589

IUPAC3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nc(-c2cccnc2)nn1-c1ccccc1
InChIInChI=1S/C14H12N4S/c1-19-14-16-13(11-6-5-9-15-10-11)17-18(14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyHOSSGKHZWGVUQK-UHFFFAOYSA-N
MW268.35 g/mol
LogP3.05
Rot. Bonds3

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

3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 134860589) has the molecular formula C14H12N4S and a molecular weight of 268.35 g/mol. Its IUPAC name is 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
PubChem CID134860589
Molecular FormulaC14H12N4S
Molecular Weight268.35 g/mol
Exact Mass268.08
IUPAC Name3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCSc1nc(-c2cccnc2)nn1-c1ccccc1
InChIInChI=1S/C14H12N4S/c1-19-14-16-13(11-6-5-9-15-10-11)17-18(14)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyHOSSGKHZWGVUQK-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

4-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine
CID 134860533
9-phenyl-2-pyridin-3-ylpurine
CID 67147959
5-(1-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)-2-phenylpyrimidine
CID 59252470
6-anilino-1-phenyl-4-pyridin-3-yl-1,3,5-triazine-2-thione
CID 102194730
7-(4-phenylphenyl)-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 66497848
9-(3-carbazol-9-ylphenyl)-1-(3,5-dipyridin-3-yl-1,2,4-triazol-1-yl)carbazole
CID 121241250
4-methyl-5-phenyl-1-pyridin-3-ylpyrazole-3-carbaldehyde
CID 89135217
4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]-2-pyridin-3-ylquinazoline
CID 26036819
2-phenyl-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phthalazin-1-one
CID 50928254
1-phenyl-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370993
5-methyl-2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 82566432
6-methylsulfanyl-1,3-diphenylpyrazolo[3,4-d]pyrimidine
CID 171099009

Frequently Asked Questions

What is the IUPAC name of 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine (CID 134860589) is 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine is CSc1nc(-c2cccnc2)nn1-c1ccccc1.
What is the InChIKey of 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is HOSSGKHZWGVUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4S/c1-19-14-16-13(11-6-5-9-15-10-11)17-18(14)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine?
3-(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 3-(5-methylsulfanyl-1-phenyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 134860589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).