3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C19H24F3N7O — CID 126912726

IUPAC3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C19H24F3N7O/c20-19(21,22)12-28-11-6-14(18(28)30)26-9-4-13(5-10-26)17-24-23-15-2-3-16(25-29(15)17)27-7-1-8-27/h2-3,13-14H,1,4-12H2
InChIKeyPWAWYAFSGFXIQC-UHFFFAOYSA-N
MW423.44 g/mol
LogP1.68
Rot. Bonds4

About 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 126912726) has the molecular formula C19H24F3N7O and a molecular weight of 423.44 g/mol. Its IUPAC name is 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID126912726
Molecular FormulaC19H24F3N7O
Molecular Weight423.44 g/mol
Exact Mass423.20
IUPAC Name3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)CCN1CC(F)(F)F
InChIInChI=1S/C19H24F3N7O/c20-19(21,22)12-28-11-6-14(18(28)30)26-9-4-13(5-10-26)17-24-23-15-2-3-16(25-29(15)17)27-7-1-8-27/h2-3,13-14H,1,4-12H2
InChIKeyPWAWYAFSGFXIQC-UHFFFAOYSA-N
XLogP1.68
TPSA69.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.44
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Related Compounds

3-(1-cyclopentylpiperidin-4-yl)-6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912364
2-methyl-6-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyridazin-3-one
CID 126912553
6-pyrrolidin-1-yl-3-[1-[6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912397
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1-methylpyridin-2-one
CID 126912689
6-(azetidin-1-yl)-3-[1-(5-methylpyrazin-2-yl)piperidin-4-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 126912755
4-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]oxolan-3-ol
CID 126912541
[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 126912586
4-[[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]methyl]-1,3-oxazole
CID 126912705
2-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-4,5-dimethyl-1,3-thiazole
CID 126912785
1-methyl-3-[4-(6-pyrrolidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)piperidin-1-yl]pyrazin-2-one
CID 126912387
3-tert-butyl-6-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133489615
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]pyrazine-2-carbonitrile
CID 126912604

Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 126912726) is 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(N2CCC(c3nnc4ccc(N5CCC5)nn34)CC2)CCN1CC(F)(F)F.
What is the InChIKey of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is PWAWYAFSGFXIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N7O/c20-19(21,22)12-28-11-6-14(18(28)30)26-9-4-13(5-10-26)17-24-23-15-2-3-16(25-29(15)17)27-7-1-8-27/h2-3,13-14H,1,4-12H2.
What are the key properties of 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 423.44 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 126912726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).