[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone

C19H25N5O — CID 109110625

IUPAC[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCCNc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N5O/c1-2-3-11-20-18-10-9-17(21-22-18)19(25)24-14-12-23(13-15-24)16-7-5-4-6-8-16/h4-10H,2-3,11-15H2,1H3,(H,20,22)
InChIKeySFAYARMQDXEVBV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.65
Rot. Bonds6

About [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone

[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109110625) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109110625
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCCCCNc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C19H25N5O/c1-2-3-11-20-18-10-9-17(21-22-18)19(25)24-14-12-23(13-15-24)16-7-5-4-6-8-16/h4-10H,2-3,11-15H2,1H3,(H,20,22)
InChIKeySFAYARMQDXEVBV-UHFFFAOYSA-N
XLogP2.65
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114135
[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109123155
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 62177839
N-butyl-4-phenylpiperazine-1-carboxamide
CID 3547607
(4-hydroxypiperidin-1-yl)-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042518
[5-(3-methoxypropylamino)pyrazin-2-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109276242
6-(butylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110730
[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
CID 109110246
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134

Frequently Asked Questions

What is the IUPAC name of [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109110625) is [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CCCCNc1ccc(C(=O)N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is SFAYARMQDXEVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-3-11-20-18-10-9-17(21-22-18)19(25)24-14-12-23(13-15-24)16-7-5-4-6-8-16/h4-10H,2-3,11-15H2,1H3,(H,20,22).
What are the key properties of [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 339.44 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109110625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).