[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone

C19H23N5O — CID 109110246

IUPAC[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
SMILESC=CCNc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)nn1
InChIInChI=1S/C19H23N5O/c1-3-9-20-18-8-7-17(21-22-18)19(25)24-12-10-23(11-13-24)16-6-4-5-15(2)14-16/h3-8,14H,1,9-13H2,2H3,(H,20,22)
InChIKeyJNVLZXFAZBJVBL-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.35
Rot. Bonds5

About [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone

[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone (PubChem CID 109110246) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
PubChem CID109110246
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone
SMILESC=CCNc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)nn1
InChIInChI=1S/C19H23N5O/c1-3-9-20-18-8-7-17(21-22-18)19(25)24-12-10-23(11-13-24)16-6-4-5-15(2)14-16/h3-8,14H,1,9-13H2,2H3,(H,20,22)
InChIKeyJNVLZXFAZBJVBL-UHFFFAOYSA-N
XLogP2.35
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[6-(pyridin-4-ylmethylamino)pyridazin-3-yl]methanone
CID 109121250
[4-(3-methylphenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202330
[4-(3-methylphenyl)piperazin-1-yl]-[2-(prop-2-enylamino)pyrimidin-4-yl]methanone
CID 109295973
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
[6-(azepan-1-yl)pyridazin-3-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109123948
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)pyrazin-2-yl]methanone
CID 109272206
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-piperidin-1-ylmethanone
CID 109112677
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109180488
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114135
[6-(butylamino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109110625
[4-(3-chlorophenyl)piperazin-1-yl]-[4-(prop-2-enylamino)-2-pyridinyl]methanone
CID 109202333
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 109361604

Frequently Asked Questions

What is the IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone (CID 109110246) is [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone is C=CCNc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)nn1.
What is the InChIKey of [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone?
The InChIKey is JNVLZXFAZBJVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-3-9-20-18-8-7-17(21-22-18)19(25)24-12-10-23(11-13-24)16-6-4-5-15(2)14-16/h3-8,14H,1,9-13H2,2H3,(H,20,22).
What are the key properties of [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone?
[4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone has a molecular weight of 337.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methylphenyl)piperazin-1-yl]-[6-(prop-2-enylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109110246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).