2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol

C13H9F3N4O — CID 68775801

IUPAC2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOc1cccn2nc(Nc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)8-3-5-9(6-4-8)17-12-18-11-10(21)2-1-7-20(11)19-12/h1-7,21H,(H,17,19)
InChIKeyCAYVNGCBWYOKMB-UHFFFAOYSA-N
MW294.24 g/mol
LogP3.20
Rot. Bonds2

About 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol

2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (PubChem CID 68775801) has the molecular formula C13H9F3N4O and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
PubChem CID68775801
Molecular FormulaC13H9F3N4O
Molecular Weight294.24 g/mol
Exact Mass294.07
IUPAC Name2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol
SMILESOc1cccn2nc(Nc3ccc(C(F)(F)F)cc3)nc12
InChIInChI=1S/C13H9F3N4O/c14-13(15,16)8-3-5-9(6-4-8)17-12-18-11-10(21)2-1-7-20(11)19-12/h1-7,21H,(H,17,19)
InChIKeyCAYVNGCBWYOKMB-UHFFFAOYSA-N
XLogP3.20
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol (CID 68775801) is 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is Oc1cccn2nc(Nc3ccc(C(F)(F)F)cc3)nc12.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
The InChIKey is CAYVNGCBWYOKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4O/c14-13(15,16)8-3-5-9(6-4-8)17-12-18-11-10(21)2-1-7-20(11)19-12/h1-7,21H,(H,17,19).
What are the key properties of 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol?
2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol has a molecular weight of 294.24 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-8-ol is sourced from PubChem (CID 68775801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).