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

C10H11F3N4S — CID 23380639

IUPAC8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CSc1nccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H11F3N4S/c1-6(2)5-18-8-7-15-16-9(10(11,12)13)17(7)4-3-14-8/h3-4,6H,5H2,1-2H3
InChIKeyXDHAAFZFNHLGMP-UHFFFAOYSA-N
MW276.29 g/mol
LogP2.89
Rot. Bonds3

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

8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 23380639) has the molecular formula C10H11F3N4S and a molecular weight of 276.29 g/mol. Its IUPAC name is 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID23380639
Molecular FormulaC10H11F3N4S
Molecular Weight276.29 g/mol
Exact Mass276.07
IUPAC Name8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCC(C)CSc1nccn2c(C(F)(F)F)nnc12
InChIInChI=1S/C10H11F3N4S/c1-6(2)5-18-8-7-15-16-9(10(11,12)13)17(7)4-3-14-8/h3-4,6H,5H2,1-2H3
InChIKeyXDHAAFZFNHLGMP-UHFFFAOYSA-N
XLogP2.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(Bromomethyl)-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380606
5-Ethyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380609
8-(3-Prop-2-enylsulfanylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380615
8-Prop-2-enylsulfanyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380616
5-Isocyano-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380629
5-Methyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380630
6-Methyl-8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 23380634
8-(2-Methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine-5-carbonitrile
CID 141951070
8-[(3R)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine
CID 177182464
8-[(3S)-3-fluoropyrrolidin-1-yl]-5-methylsulfanylimidazo[1,2-d][1,2,4]triazine
CID 177182501
4-(Methylsulfanyl)imidazo[2,1-f][1,2,4]triazine
CID 10511254
2,4-Bis(methylthio)imidazo[2,1-f][1,2,4]triazine
CID 10680057

Frequently Asked Questions

What is the IUPAC name of 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine (CID 23380639) is 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is CC(C)CSc1nccn2c(C(F)(F)F)nnc12.
What is the InChIKey of 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is XDHAAFZFNHLGMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4S/c1-6(2)5-18-8-7-15-16-9(10(11,12)13)17(7)4-3-14-8/h3-4,6H,5H2,1-2H3.
What are the key properties of 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine?
8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 276.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylpropylsulfanyl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 23380639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).