1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one

C23H33N5O — CID 7292298

IUPAC1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1
InChIInChI=1S/C23H33N5O/c1-3-8-20(9-4-2)23(29)28-16-14-27(15-17-28)22-13-12-21(25-26-22)24-18-19-10-6-5-7-11-19/h5-7,10-13,20H,3-4,8-9,14-18H2,1-2H3,(H,24,25)
InChIKeyCOKNSKABYCWBBY-UHFFFAOYSA-N
MW395.55 g/mol
LogP3.95
Rot. Bonds9

About 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one

1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one (PubChem CID 7292298) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one
PubChem CID7292298
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one
SMILESCCCC(CCC)C(=O)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1
InChIInChI=1S/C23H33N5O/c1-3-8-20(9-4-2)23(29)28-16-14-27(15-17-28)22-13-12-21(25-26-22)24-18-19-10-6-5-7-11-19/h5-7,10-13,20H,3-4,8-9,14-18H2,1-2H3,(H,24,25)
InChIKeyCOKNSKABYCWBBY-UHFFFAOYSA-N
XLogP3.95
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one (CID 7292298) is 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one is CCCC(CCC)C(=O)N1CCN(c2ccc(NCc3ccccc3)nn2)CC1.
What is the InChIKey of 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one?
The InChIKey is COKNSKABYCWBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-3-8-20(9-4-2)23(29)28-16-14-27(15-17-28)22-13-12-21(25-26-22)24-18-19-10-6-5-7-11-19/h5-7,10-13,20H,3-4,8-9,14-18H2,1-2H3,(H,24,25).
What are the key properties of 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one?
1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one has a molecular weight of 395.55 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(benzylamino)pyridazin-3-yl]piperazin-1-yl]-2-propylpentan-1-one is sourced from PubChem (CID 7292298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).