5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

C13H10F3N5S — CID 156834247

IUPAC5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSc1cccnc1-c1ccn2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H10F3N5S/c1-2-22-9-4-3-6-17-10(9)8-5-7-21-12(18-8)19-11(20-21)13(14,15)16/h3-7H,2H2,1H3
InChIKeyMSOIDEOKTUKXAB-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.32
Rot. Bonds3

About 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine

5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (PubChem CID 156834247) has the molecular formula C13H10F3N5S and a molecular weight of 325.32 g/mol. Its IUPAC name is 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
PubChem CID156834247
Molecular FormulaC13H10F3N5S
Molecular Weight325.32 g/mol
Exact Mass325.06
IUPAC Name5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine
SMILESCCSc1cccnc1-c1ccn2nc(C(F)(F)F)nc2n1
InChIInChI=1S/C13H10F3N5S/c1-2-22-9-4-3-6-17-10(9)8-5-7-21-12(18-8)19-11(20-21)13(14,15)16/h3-7H,2H2,1H3
InChIKeyMSOIDEOKTUKXAB-UHFFFAOYSA-N
XLogP3.32
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine (CID 156834247) is 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is CCSc1cccnc1-c1ccn2nc(C(F)(F)F)nc2n1.
What is the InChIKey of 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
The InChIKey is MSOIDEOKTUKXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N5S/c1-2-22-9-4-3-6-17-10(9)8-5-7-21-12(18-8)19-11(20-21)13(14,15)16/h3-7H,2H2,1H3.
What are the key properties of 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine?
5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine has a molecular weight of 325.32 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylsulfanyl-2-pyridinyl)-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine is sourced from PubChem (CID 156834247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).