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

C10H8F5N5S — CID 131963099

IUPAC2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)c1nnc2n1CCN(c1nc(C(F)(F)F)cs1)C2
InChIInChI=1S/C10H8F5N5S/c11-7(12)8-18-17-6-3-19(1-2-20(6)8)9-16-5(4-21-9)10(13,14)15/h4,7H,1-3H2
InChIKeyPGYQSJHGXVQKQA-UHFFFAOYSA-N
MW325.27 g/mol
LogP2.71
Rot. Bonds2

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

2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole (PubChem CID 131963099) has the molecular formula C10H8F5N5S and a molecular weight of 325.27 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole
PubChem CID131963099
Molecular FormulaC10H8F5N5S
Molecular Weight325.27 g/mol
Exact Mass325.04
IUPAC Name2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole
SMILESFC(F)c1nnc2n1CCN(c1nc(C(F)(F)F)cs1)C2
InChIInChI=1S/C10H8F5N5S/c11-7(12)8-18-17-6-3-19(1-2-20(6)8)9-16-5(4-21-9)10(13,14)15/h4,7H,1-3H2
InChIKeyPGYQSJHGXVQKQA-UHFFFAOYSA-N
XLogP2.71
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole?
The IUPAC name of 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole (CID 131963099) is 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole.
What is the SMILES notation for 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole?
The canonical SMILES for 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole is FC(F)c1nnc2n1CCN(c1nc(C(F)(F)F)cs1)C2.
What is the InChIKey of 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole?
The InChIKey is PGYQSJHGXVQKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5N5S/c11-7(12)8-18-17-6-3-19(1-2-20(6)8)9-16-5(4-21-9)10(13,14)15/h4,7H,1-3H2.
What are the key properties of 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole?
2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole has a molecular weight of 325.27 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(trifluoromethyl)-1,3-thiazole is sourced from PubChem (CID 131963099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).