1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone

C16H14F2N6O — CID 133426190

IUPAC1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Nc3ccc4nnc(C(F)F)n4n3)ccc21
InChIInChI=1S/C16H14F2N6O/c1-9(25)23-7-6-10-8-11(2-3-12(10)23)19-13-4-5-14-20-21-16(15(17)18)24(14)22-13/h2-5,8,15H,6-7H2,1H3,(H,19,22)
InChIKeyZJMTUCYPBZDDON-UHFFFAOYSA-N
MW344.33 g/mol
LogP2.71
Rot. Bonds3

About 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone

1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 133426190) has the molecular formula C16H14F2N6O and a molecular weight of 344.33 g/mol. Its IUPAC name is 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone
PubChem CID133426190
Molecular FormulaC16H14F2N6O
Molecular Weight344.33 g/mol
Exact Mass344.12
IUPAC Name1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(Nc3ccc4nnc(C(F)F)n4n3)ccc21
InChIInChI=1S/C16H14F2N6O/c1-9(25)23-7-6-10-8-11(2-3-12(10)23)19-13-4-5-14-20-21-16(15(17)18)24(14)22-13/h2-5,8,15H,6-7H2,1H3,(H,19,22)
InChIKeyZJMTUCYPBZDDON-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone (CID 133426190) is 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(Nc3ccc4nnc(C(F)F)n4n3)ccc21.
What is the InChIKey of 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is ZJMTUCYPBZDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N6O/c1-9(25)23-7-6-10-8-11(2-3-12(10)23)19-13-4-5-14-20-21-16(15(17)18)24(14)22-13/h2-5,8,15H,6-7H2,1H3,(H,19,22).
What are the key properties of 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 344.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 133426190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).