(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

C15H15FN4O — CID 121060430

IUPAC(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H15FN4O/c16-13-5-3-12(4-6-13)15(21)20-10-8-19(9-11-20)14-2-1-7-17-18-14/h1-7H,8-11H2
InChIKeyTVSMTEBRIARWMB-UHFFFAOYSA-N
MW286.31 g/mol
LogP1.58
Rot. Bonds2

About (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone

(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (PubChem CID 121060430) has the molecular formula C15H15FN4O and a molecular weight of 286.31 g/mol. Its IUPAC name is (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
PubChem CID121060430
Molecular FormulaC15H15FN4O
Molecular Weight286.31 g/mol
Exact Mass286.12
IUPAC Name(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cccnn2)CC1
InChIInChI=1S/C15H15FN4O/c16-13-5-3-12(4-6-13)15(21)20-10-8-19(9-11-20)14-2-1-7-17-18-14/h1-7H,8-11H2
InChIKeyTVSMTEBRIARWMB-UHFFFAOYSA-N
XLogP1.58
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Related Compounds

(4-methylphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060278
(4-propan-2-yloxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060380
(3-aminophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 119873679
(5-fluoro-2-iodophenyl)-(4-pyridazin-3-yl-1,4-diazepan-1-yl)methanone
CID 86905086
[5-(4-fluorophenyl)-4-methylthiophen-2-yl]-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 167866377
(2,6-dimethoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060283
(2-bromophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060383
1H-indol-2-yl-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060454
(2-phenoxyphenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone
CID 121060375
2-[3-(4-pyridazin-3-ylpiperazine-1-carbonyl)phenoxy]acetic acid
CID 119183766
1-(4-pyridazin-3-ylpiperazin-1-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 154739983
(4-fluorophenyl)-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
CID 42111756

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone (CID 121060430) is (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is O=C(c1ccc(F)cc1)N1CCN(c2cccnn2)CC1.
What is the InChIKey of (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
The InChIKey is TVSMTEBRIARWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O/c16-13-5-3-12(4-6-13)15(21)20-10-8-19(9-11-20)14-2-1-7-17-18-14/h1-7H,8-11H2.
What are the key properties of (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone?
(4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone has a molecular weight of 286.31 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(4-pyridazin-3-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 121060430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).