N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide

C11H9F3N4O — CID 1484233

IUPACN-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cccn2c(C(F)(F)F)nnc12)C1CC1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)10-17-16-8-7(2-1-5-18(8)10)15-9(19)6-3-4-6/h1-2,5-6H,3-4H2,(H,15,19)
InChIKeyPONYFELAULUFRV-UHFFFAOYSA-N
MW270.21 g/mol
LogP2.10
Rot. Bonds2

About N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide

N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide (PubChem CID 1484233) has the molecular formula C11H9F3N4O and a molecular weight of 270.21 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide
PubChem CID1484233
Molecular FormulaC11H9F3N4O
Molecular Weight270.21 g/mol
Exact Mass270.07
IUPAC NameN-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cccn2c(C(F)(F)F)nnc12)C1CC1
InChIInChI=1S/C11H9F3N4O/c12-11(13,14)10-17-16-8-7(2-1-5-18(8)10)15-9(19)6-3-4-6/h1-2,5-6H,3-4H2,(H,15,19)
InChIKeyPONYFELAULUFRV-UHFFFAOYSA-N
XLogP2.10
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide (CID 1484233) is N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide is O=C(Nc1cccn2c(C(F)(F)F)nnc12)C1CC1.
What is the InChIKey of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide?
The InChIKey is PONYFELAULUFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N4O/c12-11(13,14)10-17-16-8-7(2-1-5-18(8)10)15-9(19)6-3-4-6/h1-2,5-6H,3-4H2,(H,15,19).
What are the key properties of N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide?
N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide has a molecular weight of 270.21 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]cyclopropanecarboxamide is sourced from PubChem (CID 1484233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).