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

C19H24F3N7O2S — CID 58333893

IUPAC2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCNCCO)nc2s1
InChIInChI=1S/C19H24F3N7O2S/c1-2-3-12-10-13-15(24-18(25-16(13)32-12)31-9-5-23-4-8-30)28-6-7-29-14(11-28)26-27-17(29)19(20,21)22/h10,23,30H,2-9,11H2,1H3
InChIKeyGRBFKRBRLOXDON-UHFFFAOYSA-N
MW471.51 g/mol
LogP2.23
Rot. Bonds9

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

2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol (PubChem CID 58333893) has the molecular formula C19H24F3N7O2S and a molecular weight of 471.51 g/mol. Its IUPAC name is 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol.

Molecular Properties

Compound Name2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol
PubChem CID58333893
Molecular FormulaC19H24F3N7O2S
Molecular Weight471.51 g/mol
Exact Mass471.17
IUPAC Name2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol
SMILESCCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCNCCO)nc2s1
InChIInChI=1S/C19H24F3N7O2S/c1-2-3-12-10-13-15(24-18(25-16(13)32-12)31-9-5-23-4-8-30)28-6-7-29-14(11-28)26-27-17(29)19(20,21)22/h10,23,30H,2-9,11H2,1H3
InChIKeyGRBFKRBRLOXDON-UHFFFAOYSA-N
XLogP2.23
TPSA101.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.51
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol?
The IUPAC name of 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol (CID 58333893) is 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol.
What is the SMILES notation for 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol?
The canonical SMILES for 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol is CCCc1cc2c(N3CCn4c(nnc4C(F)(F)F)C3)nc(OCCNCCO)nc2s1.
What is the InChIKey of 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol?
The InChIKey is GRBFKRBRLOXDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O2S/c1-2-3-12-10-13-15(24-18(25-16(13)32-12)31-9-5-23-4-8-30)28-6-7-29-14(11-28)26-27-17(29)19(20,21)22/h10,23,30H,2-9,11H2,1H3.
What are the key properties of 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol?
2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol has a molecular weight of 471.51 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6-propyl-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]thieno[2,3-d]pyrimidin-2-yl]oxyethylamino]ethanol is sourced from PubChem (CID 58333893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).