7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

C9H9F2N3O — CID 165479218

IUPAC7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCc1nc2cc(C(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C9H9F2N3O/c1-2-6-12-7-3-5(9(10)11)4-8(15)14(7)13-6/h3-4,9H,2H2,1H3,(H,12,13)
InChIKeyGBPMMSWVKWVOQB-UHFFFAOYSA-N
MW213.19 g/mol
LogP1.52
Rot. Bonds2

About 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one

7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165479218) has the molecular formula C9H9F2N3O and a molecular weight of 213.19 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165479218
Molecular FormulaC9H9F2N3O
Molecular Weight213.19 g/mol
Exact Mass213.07
IUPAC Name7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCCc1nc2cc(C(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C9H9F2N3O/c1-2-6-12-7-3-5(9(10)11)4-8(15)14(7)13-6/h3-4,9H,2H2,1H3,(H,12,13)
InChIKeyGBPMMSWVKWVOQB-UHFFFAOYSA-N
XLogP1.52
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165479218) is 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CCc1nc2cc(C(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is GBPMMSWVKWVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2N3O/c1-2-6-12-7-3-5(9(10)11)4-8(15)14(7)13-6/h3-4,9H,2H2,1H3,(H,12,13).
What are the key properties of 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 213.19 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-ethyl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165479218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).