1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol

C19H19F3N4O2 — CID 139001368

IUPAC1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C2CN(Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)C2)nn1
InChIInChI=1S/C19H19F3N4O2/c1-12(27)17-11-26(24-23-17)15-8-25(9-15)10-16-5-6-18(28-16)13-3-2-4-14(7-13)19(20,21)22/h2-7,11-12,15,27H,8-10H2,1H3
InChIKeyAUPGGFVWIWBQOK-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.67
Rot. Bonds5

About 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol

1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol (PubChem CID 139001368) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
PubChem CID139001368
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol
SMILESCC(O)c1cn(C2CN(Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)C2)nn1
InChIInChI=1S/C19H19F3N4O2/c1-12(27)17-11-26(24-23-17)15-8-25(9-15)10-16-5-6-18(28-16)13-3-2-4-14(7-13)19(20,21)22/h2-7,11-12,15,27H,8-10H2,1H3
InChIKeyAUPGGFVWIWBQOK-UHFFFAOYSA-N
XLogP3.67
TPSA67.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The IUPAC name of 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol (CID 139001368) is 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol is CC(O)c1cn(C2CN(Cc3ccc(-c4cccc(C(F)(F)F)c4)o3)C2)nn1.
What is the InChIKey of 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
The InChIKey is AUPGGFVWIWBQOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-12(27)17-11-26(24-23-17)15-8-25(9-15)10-16-5-6-18(28-16)13-3-2-4-14(7-13)19(20,21)22/h2-7,11-12,15,27H,8-10H2,1H3.
What are the key properties of 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol?
1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol has a molecular weight of 392.38 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-[[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methyl]azetidin-3-yl]triazol-4-yl]ethanol is sourced from PubChem (CID 139001368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).