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

C9H7ClF3N5S — CID 83156238

IUPAC4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2n1CCN(c1nc(Cl)cs1)C2
InChIInChI=1S/C9H7ClF3N5S/c10-5-4-19-8(14-5)17-1-2-18-6(3-17)15-16-7(18)9(11,12)13/h4H,1-3H2
InChIKeyYGXZMWYWIWKSOM-UHFFFAOYSA-N
MW309.70 g/mol
LogP2.43
Rot. Bonds1

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

4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole (PubChem CID 83156238) has the molecular formula C9H7ClF3N5S and a molecular weight of 309.70 g/mol. Its IUPAC name is 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole
PubChem CID83156238
Molecular FormulaC9H7ClF3N5S
Molecular Weight309.70 g/mol
Exact Mass309.01
IUPAC Name4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole
SMILESFC(F)(F)c1nnc2n1CCN(c1nc(Cl)cs1)C2
InChIInChI=1S/C9H7ClF3N5S/c10-5-4-19-8(14-5)17-1-2-18-6(3-17)15-16-7(18)9(11,12)13/h4H,1-3H2
InChIKeyYGXZMWYWIWKSOM-UHFFFAOYSA-N
XLogP2.43
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.70
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole?
The IUPAC name of 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole (CID 83156238) is 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole?
The canonical SMILES for 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole is FC(F)(F)c1nnc2n1CCN(c1nc(Cl)cs1)C2.
What is the InChIKey of 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole?
The InChIKey is YGXZMWYWIWKSOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF3N5S/c10-5-4-19-8(14-5)17-1-2-18-6(3-17)15-16-7(18)9(11,12)13/h4H,1-3H2.
What are the key properties of 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole?
4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole has a molecular weight of 309.70 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1,3-thiazole is sourced from PubChem (CID 83156238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).