8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

C9H7F3N4S — CID 23380616

IUPAC8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=CCSc1nccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C9H7F3N4S/c1-2-5-17-7-6-14-15-8(9(10,11)12)16(6)4-3-13-7/h2-4H,1,5H2
InChIKeyFURHPIZTRNEPCB-UHFFFAOYSA-N
MW260.24 g/mol
LogP2.42
Rot. Bonds3

About 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine

8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 23380616) has the molecular formula C9H7F3N4S and a molecular weight of 260.24 g/mol. Its IUPAC name is 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID23380616
Molecular FormulaC9H7F3N4S
Molecular Weight260.24 g/mol
Exact Mass260.03
IUPAC Name8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESC=CCSc1nccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C9H7F3N4S/c1-2-5-17-7-6-14-15-8(9(10,11)12)16(6)4-3-13-7/h2-4H,1,5H2
InChIKeyFURHPIZTRNEPCB-UHFFFAOYSA-N
XLogP2.42
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 23380616) is 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is C=CCSc1nccn2c(C(F)(F)F)nnc12.
What is the InChIKey of 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is FURHPIZTRNEPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4S/c1-2-5-17-7-6-14-15-8(9(10,11)12)16(6)4-3-13-7/h2-4H,1,5H2.
What are the key properties of 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 260.24 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 23380616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).