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

C13H14F3N5S — CID 165431464

IUPAC2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2n1CCN(Cc1csc(C3CC3)n1)C2
InChIInChI=1S/C13H14F3N5S/c14-13(15,16)12-19-18-10-6-20(3-4-21(10)12)5-9-7-22-11(17-9)8-1-2-8/h7-8H,1-6H2
InChIKeyBIFKJXOGLDUVID-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.65
Rot. Bonds3

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

2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole (PubChem CID 165431464) has the molecular formula C13H14F3N5S and a molecular weight of 329.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
PubChem CID165431464
Molecular FormulaC13H14F3N5S
Molecular Weight329.35 g/mol
Exact Mass329.09
IUPAC Name2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2n1CCN(Cc1csc(C3CC3)n1)C2
InChIInChI=1S/C13H14F3N5S/c14-13(15,16)12-19-18-10-6-20(3-4-21(10)12)5-9-7-22-11(17-9)8-1-2-8/h7-8H,1-6H2
InChIKeyBIFKJXOGLDUVID-UHFFFAOYSA-N
XLogP2.65
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole (CID 165431464) is 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole is FC(F)(F)c1nnc2n1CCN(Cc1csc(C3CC3)n1)C2.
What is the InChIKey of 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
The InChIKey is BIFKJXOGLDUVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N5S/c14-13(15,16)12-19-18-10-6-20(3-4-21(10)12)5-9-7-22-11(17-9)8-1-2-8/h7-8H,1-6H2.
What are the key properties of 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole?
2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole has a molecular weight of 329.35 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 165431464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).