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

C15H14N4S — CID 758283

IUPAC4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCCSc1nnc(-c2ccncc2)n1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-2-20-15-18-17-14(12-8-10-16-11-9-12)19(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyXPSMCANXRZSQTH-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.44
Rot. Bonds4

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

4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine (PubChem CID 758283) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
PubChem CID758283
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine
SMILESCCSc1nnc(-c2ccncc2)n1-c1ccccc1
InChIInChI=1S/C15H14N4S/c1-2-20-15-18-17-14(12-8-10-16-11-9-12)19(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3
InChIKeyXPSMCANXRZSQTH-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine (CID 758283) is 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine is CCSc1nnc(-c2ccncc2)n1-c1ccccc1.
What is the InChIKey of 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
The InChIKey is XPSMCANXRZSQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-2-20-15-18-17-14(12-8-10-16-11-9-12)19(15)13-6-4-3-5-7-13/h3-11H,2H2,1H3.
What are the key properties of 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine?
4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine has a molecular weight of 282.37 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 758283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).