4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole

C9H8F3N5S — CID 89488477

IUPAC4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2nnc3n2CCNC3)cs1
InChIInChI=1S/C9H8F3N5S/c10-9(11,12)8-14-5(4-18-8)7-16-15-6-3-13-1-2-17(6)7/h4,13H,1-3H2
InChIKeyJTXPYTLTHSLSKH-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.52
Rot. Bonds1

About 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole

4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole (PubChem CID 89488477) has the molecular formula C9H8F3N5S and a molecular weight of 275.26 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
PubChem CID89488477
Molecular FormulaC9H8F3N5S
Molecular Weight275.26 g/mol
Exact Mass275.05
IUPAC Name4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)(F)c1nc(-c2nnc3n2CCNC3)cs1
InChIInChI=1S/C9H8F3N5S/c10-9(11,12)8-14-5(4-18-8)7-16-15-6-3-13-1-2-17(6)7/h4,13H,1-3H2
InChIKeyJTXPYTLTHSLSKH-UHFFFAOYSA-N
XLogP1.52
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole (CID 89488477) is 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole is FC(F)(F)c1nc(-c2nnc3n2CCNC3)cs1.
What is the InChIKey of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
The InChIKey is JTXPYTLTHSLSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N5S/c10-9(11,12)8-14-5(4-18-8)7-16-15-6-3-13-1-2-17(6)7/h4,13H,1-3H2.
What are the key properties of 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole?
4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole has a molecular weight of 275.26 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-2-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 89488477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).