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

C10H11F2N3O — CID 165470797

IUPAC7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)c1nc2cc(C(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C10H11F2N3O/c1-5(2)10-13-7-3-6(9(11)12)4-8(16)15(7)14-10/h3-5,9H,1-2H3,(H,13,14)
InChIKeyILQBYGYRMAWJIL-UHFFFAOYSA-N
MW227.21 g/mol
LogP2.08
Rot. Bonds2

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

7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (PubChem CID 165470797) has the molecular formula C10H11F2N3O and a molecular weight of 227.21 g/mol. Its IUPAC name is 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.

Molecular Properties

Compound Name7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
PubChem CID165470797
Molecular FormulaC10H11F2N3O
Molecular Weight227.21 g/mol
Exact Mass227.09
IUPAC Name7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one
SMILESCC(C)c1nc2cc(C(F)F)cc(=O)n2[nH]1
InChIInChI=1S/C10H11F2N3O/c1-5(2)10-13-7-3-6(9(11)12)4-8(16)15(7)14-10/h3-5,9H,1-2H3,(H,13,14)
InChIKeyILQBYGYRMAWJIL-UHFFFAOYSA-N
XLogP2.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The IUPAC name of 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one (CID 165470797) is 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one.
What is the SMILES notation for 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The canonical SMILES for 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is CC(C)c1nc2cc(C(F)F)cc(=O)n2[nH]1.
What is the InChIKey of 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
The InChIKey is ILQBYGYRMAWJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O/c1-5(2)10-13-7-3-6(9(11)12)4-8(16)15(7)14-10/h3-5,9H,1-2H3,(H,13,14).
What are the key properties of 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one?
7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one has a molecular weight of 227.21 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-2-propan-2-yl-3H-[1,2,4]triazolo[1,5-a]pyridin-5-one is sourced from PubChem (CID 165470797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).