[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone

C17H20FN5O — CID 121053720

IUPAC[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nn1
InChIInChI=1S/C17H20FN5O/c1-21(2)15-6-7-16(20-19-15)22-8-10-23(11-9-22)17(24)13-4-3-5-14(18)12-13/h3-7,12H,8-11H2,1-2H3
InChIKeyAEVPILCQYUFSFZ-UHFFFAOYSA-N
MW329.38 g/mol
LogP1.64
Rot. Bonds3

About [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone

[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone (PubChem CID 121053720) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone.

Molecular Properties

Compound Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
PubChem CID121053720
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone
SMILESCN(C)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nn1
InChIInChI=1S/C17H20FN5O/c1-21(2)15-6-7-16(20-19-15)22-8-10-23(11-9-22)17(24)13-4-3-5-14(18)12-13/h3-7,12H,8-11H2,1-2H3
InChIKeyAEVPILCQYUFSFZ-UHFFFAOYSA-N
XLogP1.64
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The IUPAC name of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone (CID 121053720) is [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone.
What is the SMILES notation for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The canonical SMILES for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone is CN(C)c1ccc(N2CCN(C(=O)c3cccc(F)c3)CC2)nn1.
What is the InChIKey of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
The InChIKey is AEVPILCQYUFSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-21(2)15-6-7-16(20-19-15)22-8-10-23(11-9-22)17(24)13-4-3-5-14(18)12-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone?
[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone has a molecular weight of 329.38 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-(3-fluorophenyl)methanone is sourced from PubChem (CID 121053720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).