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

C21H28N6O — CID 109116153

IUPAC(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C21H28N6O/c1-24-9-13-26(14-10-24)20-8-7-19(22-23-20)21(28)27-15-11-25(12-16-27)17-18-5-3-2-4-6-18/h2-8H,9-17H2,1H3
InChIKeyYBWXWWNCOGEQFX-UHFFFAOYSA-N
MW380.50 g/mol
LogP1.19
Rot. Bonds4

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

(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone (PubChem CID 109116153) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
PubChem CID109116153
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone
SMILESCN1CCN(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)CC1
InChIInChI=1S/C21H28N6O/c1-24-9-13-26(14-10-24)20-8-7-19(22-23-20)21(28)27-15-11-25(12-16-27)17-18-5-3-2-4-6-18/h2-8H,9-17H2,1H3
InChIKeyYBWXWWNCOGEQFX-UHFFFAOYSA-N
XLogP1.19
TPSA55.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109116154
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111898
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 121027865
[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-quinolin-2-ylmethanone
CID 122336357
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
[6-[4-(3-methylphenyl)piperazin-1-yl]pyridazin-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 109116337
2-[4-[6-(4-benzylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanol
CID 171701163
(4-ethylpiperazin-1-yl)-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 109111739
[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111899
[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 (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone (CID 109116153) is (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone is CN1CCN(c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)nn2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone?
The InChIKey is YBWXWWNCOGEQFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-24-9-13-26(14-10-24)20-8-7-19(22-23-20)21(28)27-15-11-25(12-16-27)17-18-5-3-2-4-6-18/h2-8H,9-17H2,1H3.
What are the key properties of (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone?
(4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone has a molecular weight of 380.50 g/mol, XLogP of 1.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]methanone is sourced from PubChem (CID 109116153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).