1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one

C16H14F2N6O — CID 71921367

IUPAC1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one
SMILESCc1nnc2ccc(NC3CCN(c4c(F)cccc4F)C3=O)nn12
InChIInChI=1S/C16H14F2N6O/c1-9-20-21-14-6-5-13(22-24(9)14)19-12-7-8-23(16(12)25)15-10(17)3-2-4-11(15)18/h2-6,12H,7-8H2,1H3,(H,19,22)
InChIKeyRHULTMYYLUWKRH-UHFFFAOYSA-N
MW344.33 g/mol
LogP1.93
Rot. Bonds3

About 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one

1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one (PubChem CID 71921367) has the molecular formula C16H14F2N6O and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one
PubChem CID71921367
Molecular FormulaC16H14F2N6O
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one
SMILESCc1nnc2ccc(NC3CCN(c4c(F)cccc4F)C3=O)nn12
InChIInChI=1S/C16H14F2N6O/c1-9-20-21-14-6-5-13(22-24(9)14)19-12-7-8-23(16(12)25)15-10(17)3-2-4-11(15)18/h2-6,12H,7-8H2,1H3,(H,19,22)
InChIKeyRHULTMYYLUWKRH-UHFFFAOYSA-N
XLogP1.93
TPSA75.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one (CID 71921367) is 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one is Cc1nnc2ccc(NC3CCN(c4c(F)cccc4F)C3=O)nn12.
What is the InChIKey of 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
The InChIKey is RHULTMYYLUWKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O/c1-9-20-21-14-6-5-13(22-24(9)14)19-12-7-8-23(16(12)25)15-10(17)3-2-4-11(15)18/h2-6,12H,7-8H2,1H3,(H,19,22).
What are the key properties of 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one?
1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one has a molecular weight of 344.33 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-difluorophenyl)-3-[(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 71921367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).