5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid

C12H12F3N3O2 — CID 62874514

IUPAC5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-5-6-10-17-16-9(18(10)7-8)3-1-2-4-11(19)20/h5-7H,1-4H2,(H,19,20)
InChIKeyMFUKWJYHURJUND-UHFFFAOYSA-N
MW287.24 g/mol
LogP2.55
Rot. Bonds5

About 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid

5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid (PubChem CID 62874514) has the molecular formula C12H12F3N3O2 and a molecular weight of 287.24 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid
PubChem CID62874514
Molecular FormulaC12H12F3N3O2
Molecular Weight287.24 g/mol
Exact Mass287.09
IUPAC Name5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid
SMILESO=C(O)CCCCc1nnc2ccc(C(F)(F)F)cn12
InChIInChI=1S/C12H12F3N3O2/c13-12(14,15)8-5-6-10-17-16-9(18(10)7-8)3-1-2-4-11(19)20/h5-7H,1-4H2,(H,19,20)
InChIKeyMFUKWJYHURJUND-UHFFFAOYSA-N
XLogP2.55
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid?
The IUPAC name of 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid (CID 62874514) is 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid.
What is the SMILES notation for 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid?
The canonical SMILES for 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid is O=C(O)CCCCc1nnc2ccc(C(F)(F)F)cn12.
What is the InChIKey of 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid?
The InChIKey is MFUKWJYHURJUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2/c13-12(14,15)8-5-6-10-17-16-9(18(10)7-8)3-1-2-4-11(19)20/h5-7H,1-4H2,(H,19,20).
What are the key properties of 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid?
5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid has a molecular weight of 287.24 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]pentanoic acid is sourced from PubChem (CID 62874514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).