1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol

C16H14F3N3O2 — CID 66858758

IUPAC1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
SMILESCC(O)C(OC(F)(F)F)(c1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C16H14F3N3O2/c1-11(23)15(24-16(17,18)19,12-7-3-2-4-8-12)14-21-20-13-9-5-6-10-22(13)14/h2-11,23H,1H3
InChIKeyZLHIJWZMSLQAFB-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.89
Rot. Bonds4

About 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol

1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol (PubChem CID 66858758) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
PubChem CID66858758
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
SMILESCC(O)C(OC(F)(F)F)(c1ccccc1)c1nnc2ccccn12
InChIInChI=1S/C16H14F3N3O2/c1-11(23)15(24-16(17,18)19,12-7-3-2-4-8-12)14-21-20-13-9-5-6-10-22(13)14/h2-11,23H,1H3
InChIKeyZLHIJWZMSLQAFB-UHFFFAOYSA-N
XLogP2.89
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
The IUPAC name of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol (CID 66858758) is 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol.
What is the SMILES notation for 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
The canonical SMILES for 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol is CC(O)C(OC(F)(F)F)(c1ccccc1)c1nnc2ccccn12.
What is the InChIKey of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
The InChIKey is ZLHIJWZMSLQAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c1-11(23)15(24-16(17,18)19,12-7-3-2-4-8-12)14-21-20-13-9-5-6-10-22(13)14/h2-11,23H,1H3.
What are the key properties of 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol has a molecular weight of 337.30 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol is sourced from PubChem (CID 66858758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).