3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one

C15H15F3N4O2 — CID 126527265

IUPAC3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC(O)(C(=O)N1CCc2c(nnn2-c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c1-14(24,15(16,17)18)13(23)21-8-7-12-11(9-21)19-20-22(12)10-5-3-2-4-6-10/h2-6,24H,7-9H2,1H3
InChIKeyJEQFKLVCQKTQBF-UHFFFAOYSA-N
MW340.31 g/mol
LogP1.47
Rot. Bonds2

About 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one

3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one (PubChem CID 126527265) has the molecular formula C15H15F3N4O2 and a molecular weight of 340.31 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
PubChem CID126527265
Molecular FormulaC15H15F3N4O2
Molecular Weight340.31 g/mol
Exact Mass340.11
IUPAC Name3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
SMILESCC(O)(C(=O)N1CCc2c(nnn2-c2ccccc2)C1)C(F)(F)F
InChIInChI=1S/C15H15F3N4O2/c1-14(24,15(16,17)18)13(23)21-8-7-12-11(9-21)19-20-22(12)10-5-3-2-4-6-10/h2-6,24H,7-9H2,1H3
InChIKeyJEQFKLVCQKTQBF-UHFFFAOYSA-N
XLogP1.47
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one (CID 126527265) is 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one is CC(O)(C(=O)N1CCc2c(nnn2-c2ccccc2)C1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one?
The InChIKey is JEQFKLVCQKTQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F3N4O2/c1-14(24,15(16,17)18)13(23)21-8-7-12-11(9-21)19-20-22(12)10-5-3-2-4-6-10/h2-6,24H,7-9H2,1H3.
What are the key properties of 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one?
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one has a molecular weight of 340.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 126527265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).