4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one

C14H22N4O — CID 166269145

IUPAC4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccnnc2)CC1
InChIInChI=1S/C14H22N4O/c1-12(2)3-4-14(19)18-9-7-17(8-10-18)13-5-6-15-16-11-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyJBJSRZBWWFCPFV-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.56
Rot. Bonds4

About 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one

4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one (PubChem CID 166269145) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one.

Molecular Properties

Compound Name4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one
PubChem CID166269145
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one
SMILESCC(C)CCC(=O)N1CCN(c2ccnnc2)CC1
InChIInChI=1S/C14H22N4O/c1-12(2)3-4-14(19)18-9-7-17(8-10-18)13-5-6-15-16-11-13/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyJBJSRZBWWFCPFV-UHFFFAOYSA-N
XLogP1.56
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one?
The IUPAC name of 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one (CID 166269145) is 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one.
What is the SMILES notation for 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one?
The canonical SMILES for 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one is CC(C)CCC(=O)N1CCN(c2ccnnc2)CC1.
What is the InChIKey of 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one?
The InChIKey is JBJSRZBWWFCPFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-12(2)3-4-14(19)18-9-7-17(8-10-18)13-5-6-15-16-11-13/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one?
4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one has a molecular weight of 262.36 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(4-pyridazin-4-ylpiperazin-1-yl)pentan-1-one is sourced from PubChem (CID 166269145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).