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

C12H8F3N5 — CID 42623548

IUPAC6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2ccc(-c3cncc(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)9-3-8(4-17-5-9)7-1-2-10-18-11(16)19-20(10)6-7/h1-6H,(H2,16,19)
InChIKeyUHIUDBDATYSGQO-UHFFFAOYSA-N
MW279.23 g/mol
LogP2.39
Rot. Bonds1

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

6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 42623548) has the molecular formula C12H8F3N5 and a molecular weight of 279.23 g/mol. Its IUPAC name is 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID42623548
Molecular FormulaC12H8F3N5
Molecular Weight279.23 g/mol
Exact Mass279.07
IUPAC Name6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2ccc(-c3cncc(C(F)(F)F)c3)cn2n1
InChIInChI=1S/C12H8F3N5/c13-12(14,15)9-3-8(4-17-5-9)7-1-2-10-18-11(16)19-20(10)6-7/h1-6H,(H2,16,19)
InChIKeyUHIUDBDATYSGQO-UHFFFAOYSA-N
XLogP2.39
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.23
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 42623548) is 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2ccc(-c3cncc(C(F)(F)F)c3)cn2n1.
What is the InChIKey of 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is UHIUDBDATYSGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N5/c13-12(14,15)9-3-8(4-17-5-9)7-1-2-10-18-11(16)19-20(10)6-7/h1-6H,(H2,16,19).
What are the key properties of 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 279.23 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 42623548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).