2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol

C15H15F3N6O2S — CID 91380223

IUPAC2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol
SMILESCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCO)nc2s1
InChIInChI=1S/C15H15F3N6O2S/c1-8-6-9-11(19-14(26-5-4-25)20-12(9)27-8)23-2-3-24-10(7-23)21-22-13(24)15(16,17)18/h6,25H,2-5,7H2,1H3
InChIKeySZYRVYAQOKCILJ-UHFFFAOYSA-N
MW400.39 g/mol
LogP2.00
Rot. Bonds4

About 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol

2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol (PubChem CID 91380223) has the molecular formula C15H15F3N6O2S and a molecular weight of 400.39 g/mol. Its IUPAC name is 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol.

Molecular Properties

Compound Name2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol
PubChem CID91380223
Molecular FormulaC15H15F3N6O2S
Molecular Weight400.39 g/mol
Exact Mass400.09
IUPAC Name2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol
SMILESCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCO)nc2s1
InChIInChI=1S/C15H15F3N6O2S/c1-8-6-9-11(19-14(26-5-4-25)20-12(9)27-8)23-2-3-24-10(7-23)21-22-13(24)15(16,17)18/h6,25H,2-5,7H2,1H3
InChIKeySZYRVYAQOKCILJ-UHFFFAOYSA-N
XLogP2.00
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol?
The IUPAC name of 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol (CID 91380223) is 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol.
What is the SMILES notation for 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol?
The canonical SMILES for 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol is Cc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCO)nc2s1.
What is the InChIKey of 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol?
The InChIKey is SZYRVYAQOKCILJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N6O2S/c1-8-6-9-11(19-14(26-5-4-25)20-12(9)27-8)23-2-3-24-10(7-23)21-22-13(24)15(16,17)18/h6,25H,2-5,7H2,1H3.
What are the key properties of 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol?
2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol has a molecular weight of 400.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethanol is sourced from PubChem (CID 91380223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).