4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H6F3N5S — CID 89488460

IUPAC4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(C2=NCCn3cnnc32)cs1
InChIInChI=1S/C9H6F3N5S/c10-9(11,12)8-15-5(3-18-8)6-7-16-14-4-17(7)2-1-13-6/h3-4H,1-2H2
InChIKeyIMMGBNNFNZMNNR-UHFFFAOYSA-N
MW273.24 g/mol
LogP1.60
Rot. Bonds1

About 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 89488460) has the molecular formula C9H6F3N5S and a molecular weight of 273.24 g/mol. Its IUPAC name is 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID89488460
Molecular FormulaC9H6F3N5S
Molecular Weight273.24 g/mol
Exact Mass273.03
IUPAC Name4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(C2=NCCn3cnnc32)cs1
InChIInChI=1S/C9H6F3N5S/c10-9(11,12)8-15-5(3-18-8)6-7-16-14-4-17(7)2-1-13-6/h3-4H,1-2H2
InChIKeyIMMGBNNFNZMNNR-UHFFFAOYSA-N
XLogP1.60
TPSA55.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 89488460) is 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(C2=NCCn3cnnc32)cs1.
What is the InChIKey of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is IMMGBNNFNZMNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N5S/c10-9(11,12)8-15-5(3-18-8)6-7-16-14-4-17(7)2-1-13-6/h3-4H,1-2H2.
What are the key properties of 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 273.24 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-8-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 89488460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).