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

C16H14F3N3O2 — CID 66858757

IUPAC1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
SMILESOC(Cc1nnc2ccccn12)C(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)24-15(11-6-2-1-3-7-11)12(23)10-14-21-20-13-8-4-5-9-22(13)14/h1-9,12,15,23H,10H2
InChIKeyZOCFJOXHSVEXBB-UHFFFAOYSA-N
MW337.30 g/mol
LogP2.91
Rot. Bonds5

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

1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol (PubChem CID 66858757) has the molecular formula C16H14F3N3O2 and a molecular weight of 337.30 g/mol. Its IUPAC name is 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol.

Molecular Properties

Compound Name1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
PubChem CID66858757
Molecular FormulaC16H14F3N3O2
Molecular Weight337.30 g/mol
Exact Mass337.10
IUPAC Name1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol
SMILESOC(Cc1nnc2ccccn12)C(OC(F)(F)F)c1ccccc1
InChIInChI=1S/C16H14F3N3O2/c17-16(18,19)24-15(11-6-2-1-3-7-11)12(23)10-14-21-20-13-8-4-5-9-22(13)14/h1-9,12,15,23H,10H2
InChIKeyZOCFJOXHSVEXBB-UHFFFAOYSA-N
XLogP2.91
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
The IUPAC name of 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol (CID 66858757) is 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol.
What is the SMILES notation for 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
The canonical SMILES for 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol is OC(Cc1nnc2ccccn12)C(OC(F)(F)F)c1ccccc1.
What is the InChIKey of 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
The InChIKey is ZOCFJOXHSVEXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O2/c17-16(18,19)24-15(11-6-2-1-3-7-11)12(23)10-14-21-20-13-8-4-5-9-22(13)14/h1-9,12,15,23H,10H2.
What are the key properties of 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol?
1-phenyl-3-([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 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)-1-(trifluoromethoxy)propan-2-ol is sourced from PubChem (CID 66858757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).