[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone

C19H24ClN5O2 — CID 109114135

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
SMILESCOCCCNc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1
InChIInChI=1S/C19H24ClN5O2/c1-27-13-3-8-21-18-7-6-17(22-23-18)19(26)25-11-9-24(10-12-25)16-5-2-4-15(20)14-16/h2,4-7,14H,3,8-13H2,1H3,(H,21,23)
InChIKeyYIMAOCZGMUUMGQ-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.54
Rot. Bonds7

About [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone (PubChem CID 109114135) has the molecular formula C19H24ClN5O2 and a molecular weight of 389.89 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
PubChem CID109114135
Molecular FormulaC19H24ClN5O2
Molecular Weight389.89 g/mol
Exact Mass389.16
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
SMILESCOCCCNc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1
InChIInChI=1S/C19H24ClN5O2/c1-27-13-3-8-21-18-7-6-17(22-23-18)19(26)25-11-9-24(10-12-25)16-5-2-4-15(20)14-16/h2,4-7,14H,3,8-13H2,1H3,(H,21,23)
InChIKeyYIMAOCZGMUUMGQ-UHFFFAOYSA-N
XLogP2.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
[5-(3-methoxypropylamino)-2-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109184425
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(2-methoxyethylamino)pyrimidin-5-yl]methanone
CID 109251539
[2-(3-methoxypropylamino)-4-pyridinyl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109167191
[2-(3-methoxypropylamino)pyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109300021
4-(3-chlorophenyl)-N-(5-methoxypentyl)-N'-methylpiperazine-1-carboximidamide;hydroiodide
CID 111186560
[4-(3-chlorophenyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111774
[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
CID 109110246
N-(2,5-dichlorophenyl)-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114249
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365027

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone (CID 109114135) is [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone is COCCCNc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)nn1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone?
The InChIKey is YIMAOCZGMUUMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN5O2/c1-27-13-3-8-21-18-7-6-17(22-23-18)19(26)25-11-9-24(10-12-25)16-5-2-4-15(20)14-16/h2,4-7,14H,3,8-13H2,1H3,(H,21,23).
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone has a molecular weight of 389.89 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109114135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).