2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

C8H6F3N3O — CID 157425844

IUPAC2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C8H6F3N3O/c1-13-7(15)14-4-2-3-5(6(14)12-13)8(9,10)11/h2-4H,1H3
InChIKeyBPYIYWNEPIHADX-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.05
Rot. Bonds

About 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one

2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 157425844) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID157425844
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2c(C(F)(F)F)cccn2c1=O
InChIInChI=1S/C8H6F3N3O/c1-13-7(15)14-4-2-3-5(6(14)12-13)8(9,10)11/h2-4H,1H3
InChIKeyBPYIYWNEPIHADX-UHFFFAOYSA-N
XLogP1.05
TPSA39.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 157425844) is 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2c(C(F)(F)F)cccn2c1=O.
What is the InChIKey of 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is BPYIYWNEPIHADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-13-7(15)14-4-2-3-5(6(14)12-13)8(9,10)11/h2-4H,1H3.
What are the key properties of 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one?
2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 217.15 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 157425844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).