1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

C16H22F2N6O2 — CID 166289170

IUPAC1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCOc1ccc2nnc(CCC(=O)N3CCCCNCC(F)(F)C3)n2n1
InChIInChI=1S/C16H22F2N6O2/c1-26-14-6-4-12-20-21-13(24(12)22-14)5-7-15(25)23-9-3-2-8-19-10-16(17,18)11-23/h4,6,19H,2-3,5,7-11H2,1H3
InChIKeyJUTMQTISRXXGRK-UHFFFAOYSA-N
MW368.39 g/mol
LogP0.91
Rot. Bonds4

About 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one

1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (PubChem CID 166289170) has the molecular formula C16H22F2N6O2 and a molecular weight of 368.39 g/mol. Its IUPAC name is 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
PubChem CID166289170
Molecular FormulaC16H22F2N6O2
Molecular Weight368.39 g/mol
Exact Mass368.18
IUPAC Name1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one
SMILESCOc1ccc2nnc(CCC(=O)N3CCCCNCC(F)(F)C3)n2n1
InChIInChI=1S/C16H22F2N6O2/c1-26-14-6-4-12-20-21-13(24(12)22-14)5-7-15(25)23-9-3-2-8-19-10-16(17,18)11-23/h4,6,19H,2-3,5,7-11H2,1H3
InChIKeyJUTMQTISRXXGRK-UHFFFAOYSA-N
XLogP0.91
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The IUPAC name of 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one (CID 166289170) is 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one.
What is the SMILES notation for 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The canonical SMILES for 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is COc1ccc2nnc(CCC(=O)N3CCCCNCC(F)(F)C3)n2n1.
What is the InChIKey of 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
The InChIKey is JUTMQTISRXXGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N6O2/c1-26-14-6-4-12-20-21-13(24(12)22-14)5-7-15(25)23-9-3-2-8-19-10-16(17,18)11-23/h4,6,19H,2-3,5,7-11H2,1H3.
What are the key properties of 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one?
1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one has a molecular weight of 368.39 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoro-1,5-diazonan-1-yl)-3-(6-methoxy-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)propan-1-one is sourced from PubChem (CID 166289170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).