8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C12H7F4N5 — CID 42624225

IUPAC8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(F)cc(-c3cncc(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C12H7F4N5/c13-9-2-7(5-21-10(9)19-11(17)20-21)6-1-8(4-18-3-6)12(14,15)16/h1-5H,(H2,17,20)
InChIKeyXIGYAKSUVJRXKO-UHFFFAOYSA-N
MW297.22 g/mol
LogP2.53
Rot. Bonds1

About 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 42624225) has the molecular formula C12H7F4N5 and a molecular weight of 297.22 g/mol. Its IUPAC name is 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID42624225
Molecular FormulaC12H7F4N5
Molecular Weight297.22 g/mol
Exact Mass297.06
IUPAC Name8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(F)cc(-c3cncc(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C12H7F4N5/c13-9-2-7(5-21-10(9)19-11(17)20-21)6-1-8(4-18-3-6)12(14,15)16/h1-5H,(H2,17,20)
InChIKeyXIGYAKSUVJRXKO-UHFFFAOYSA-N
XLogP2.53
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 42624225) is 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2c(F)cc(-c3cncc(C(F)(F)F)c3)cn2n1.
What is the InChIKey of 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is XIGYAKSUVJRXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F4N5/c13-9-2-7(5-21-10(9)19-11(17)20-21)6-1-8(4-18-3-6)12(14,15)16/h1-5H,(H2,17,20).
What are the key properties of 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 297.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 42624225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).