2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one

C14H10F3N3O — CID 117135184

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
SMILESO=c1ccn2[nH]c(Cc3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-3-1-9(2-4-10)7-12-18-13-8-11(21)5-6-20(13)19-12/h1-6,8H,7H2,(H,18,19)
InChIKeyYABJJZCLCCFROP-UHFFFAOYSA-N
MW293.25 g/mol
LogP2.63
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one

2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one (PubChem CID 117135184) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
PubChem CID117135184
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one
SMILESO=c1ccn2[nH]c(Cc3ccc(C(F)(F)F)cc3)nc2c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)10-3-1-9(2-4-10)7-12-18-13-8-11(21)5-6-20(13)19-12/h1-6,8H,7H2,(H,18,19)
InChIKeyYABJJZCLCCFROP-UHFFFAOYSA-N
XLogP2.63
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one (CID 117135184) is 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one is O=c1ccn2[nH]c(Cc3ccc(C(F)(F)F)cc3)nc2c1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
The InChIKey is YABJJZCLCCFROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)10-3-1-9(2-4-10)7-12-18-13-8-11(21)5-6-20(13)19-12/h1-6,8H,7H2,(H,18,19).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one?
2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one has a molecular weight of 293.25 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]-3H-[1,2,4]triazolo[1,5-a]pyridin-7-one is sourced from PubChem (CID 117135184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).