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

C20H26N6O — CID 109116154

IUPAC[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C20H26N6O/c1-23-9-11-25(12-10-23)19-8-7-18(21-22-19)20(27)26-15-13-24(14-16-26)17-5-3-2-4-6-17/h2-8H,9-16H2,1H3
InChIKeyZTEYMCCRUNRKIC-UHFFFAOYSA-N
MW366.47 g/mol
LogP1.19
Rot. Bonds3

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

[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (PubChem CID 109116154) has the molecular formula C20H26N6O and a molecular weight of 366.47 g/mol. Its IUPAC name is [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
PubChem CID109116154
Molecular FormulaC20H26N6O
Molecular Weight366.47 g/mol
Exact Mass366.22
IUPAC Name[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C20H26N6O/c1-23-9-11-25(12-10-23)19-8-7-18(21-22-19)20(27)26-15-13-24(14-16-26)17-5-3-2-4-6-17/h2-8H,9-16H2,1H3
InChIKeyZTEYMCCRUNRKIC-UHFFFAOYSA-N
XLogP1.19
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
4-[6-(4-phenylpiperazine-1-carbonyl)pyridazin-3-yl]piperazine-1-carbaldehyde
CID 109116803
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116153
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109121734
(4-methylpiperazin-1-yl)-[5-(4-phenylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109278105
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109116144
[6-(3,4-dihydro-1H-isoquinolin-2-yl)pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116317
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
[2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 109367040
[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109366887
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-(1-methyltriazol-4-yl)methanone
CID 122336407

Frequently Asked Questions

What is the IUPAC name of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The IUPAC name of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone (CID 109116154) is [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is CN1CCN(c2ccc(C(=O)N3CCN(c4ccccc4)CC3)nn2)CC1.
What is the InChIKey of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
The InChIKey is ZTEYMCCRUNRKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O/c1-23-9-11-25(12-10-23)19-8-7-18(21-22-19)20(27)26-15-13-24(14-16-26)17-5-3-2-4-6-17/h2-8H,9-16H2,1H3.
What are the key properties of [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone?
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone has a molecular weight of 366.47 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 109116154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).