1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one

C12H18N4O — CID 163363652

IUPAC1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2ccnnc2)CC1
InChIInChI=1S/C12H18N4O/c1-2-12(17)16-7-5-15(6-8-16)10-11-3-4-13-14-9-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyLWWZWMGFVDIBMR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.53
Rot. Bonds3

About 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one

1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one (PubChem CID 163363652) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one
PubChem CID163363652
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(Cc2ccnnc2)CC1
InChIInChI=1S/C12H18N4O/c1-2-12(17)16-7-5-15(6-8-16)10-11-3-4-13-14-9-11/h3-4,9H,2,5-8,10H2,1H3
InChIKeyLWWZWMGFVDIBMR-UHFFFAOYSA-N
XLogP0.53
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[(4-aminophenyl)methyl]piperazin-1-yl]propan-1-one
CID 28917407
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 110398874
1-[4-[(4-ethenylphenyl)methyl]piperazin-1-yl]propan-1-one
CID 20722124
1-[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 46779037
1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-1-one
CID 86928582
3-(4-ethylphenyl)-1-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propan-1-one
CID 110709163
2-methoxy-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 46684654
methyl 4-oxo-4-[4-(pyridin-4-ylmethyl)piperazin-1-yl]butanoate
CID 110709153
1-(4-benzylpiperazin-1-yl)butan-1-one
CID 874457
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 166351746
2-(2-ethoxyphenoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 134045109
2-(2-methoxyethoxy)-1-[4-(pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 103606916

Frequently Asked Questions

What is the IUPAC name of 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one (CID 163363652) is 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(Cc2ccnnc2)CC1.
What is the InChIKey of 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one?
The InChIKey is LWWZWMGFVDIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-2-12(17)16-7-5-15(6-8-16)10-11-3-4-13-14-9-11/h3-4,9H,2,5-8,10H2,1H3.
What are the key properties of 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one?
1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one has a molecular weight of 234.30 g/mol, XLogP of 0.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(pyridazin-4-ylmethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 163363652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).