2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol

C12H12FN3O — CID 117128553

IUPAC2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2nc(-c3ccccc3F)nn21
InChIInChI=1S/C12H12FN3O/c13-9-5-2-1-4-8(9)12-14-10-6-3-7-11(17)16(10)15-12/h1-2,4-5,11,17H,3,6-7H2
InChIKeyMWDGEWQGLZWXCS-UHFFFAOYSA-N
MW233.25 g/mol
LogP1.91
Rot. Bonds1

About 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol

2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (PubChem CID 117128553) has the molecular formula C12H12FN3O and a molecular weight of 233.25 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.

Molecular Properties

Compound Name2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
PubChem CID117128553
Molecular FormulaC12H12FN3O
Molecular Weight233.25 g/mol
Exact Mass233.10
IUPAC Name2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol
SMILESOC1CCCc2nc(-c3ccccc3F)nn21
InChIInChI=1S/C12H12FN3O/c13-9-5-2-1-4-8(9)12-14-10-6-3-7-11(17)16(10)15-12/h1-2,4-5,11,17H,3,6-7H2
InChIKeyMWDGEWQGLZWXCS-UHFFFAOYSA-N
XLogP1.91
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.25
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The IUPAC name of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol (CID 117128553) is 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol.
What is the SMILES notation for 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The canonical SMILES for 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is OC1CCCc2nc(-c3ccccc3F)nn21.
What is the InChIKey of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
The InChIKey is MWDGEWQGLZWXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O/c13-9-5-2-1-4-8(9)12-14-10-6-3-7-11(17)16(10)15-12/h1-2,4-5,11,17H,3,6-7H2.
What are the key properties of 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol?
2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol has a molecular weight of 233.25 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-5-ol is sourced from PubChem (CID 117128553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).