4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one

C11H16FN5O — CID 167822097

IUPAC4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one
SMILESO=C1CN(CCCNc2ccc(F)nn2)CCN1
InChIInChI=1S/C11H16FN5O/c12-9-2-3-10(16-15-9)13-4-1-6-17-7-5-14-11(18)8-17/h2-3H,1,4-8H2,(H,13,16)(H,14,18)
InChIKeyZLRRFSWXGPXSFO-UHFFFAOYSA-N
MW253.28 g/mol
LogP-0.15
Rot. Bonds5

About 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one

4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one (PubChem CID 167822097) has the molecular formula C11H16FN5O and a molecular weight of 253.28 g/mol. Its IUPAC name is 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one.

Molecular Properties

Compound Name4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one
PubChem CID167822097
Molecular FormulaC11H16FN5O
Molecular Weight253.28 g/mol
Exact Mass253.13
IUPAC Name4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one
SMILESO=C1CN(CCCNc2ccc(F)nn2)CCN1
InChIInChI=1S/C11H16FN5O/c12-9-2-3-10(16-15-9)13-4-1-6-17-7-5-14-11(18)8-17/h2-3H,1,4-8H2,(H,13,16)(H,14,18)
InChIKeyZLRRFSWXGPXSFO-UHFFFAOYSA-N
XLogP-0.15
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-6-(piperazin-1-yl)pyridazin-3-amine
CID 33702672
1-{4-[6-(Pyrrolidin-1-YL)pyridazin-3-YL]piperazin-1-YL}propan-1-one
CID 7292325
1-(4-(6-(Diethylamino)pyridazin-3-yl)piperazin-1-yl)ethanone
CID 49670213
1-(3-Methylbutyl)-3-[6-[4-(4,4,4-trifluorobutanoyl)piperazin-1-yl]pyridazin-3-yl]urea
CID 142680620
1-[4-(6-Aminopyridazin-3-yl)piperazin-1-yl]-2,2,2-trifluoroethanone
CID 174490674
N-pyridazin-3-yl-2-(2,2,2-trifluoroethylamino)acetamide
CID 116786691
1-(4-(6-(Dimethylamino)pyridazin-3-yl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 122334157
3,3,3-Trifluoro-1-(4-(6-(pyrrolidin-1-yl)pyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 122334448
1-(4-(6-(Diethylamino)pyridazin-3-yl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 122335603
3,3,3-Trifluoro-1-(4-(6-(4-methylpiperazin-1-yl)pyridazin-3-yl)piperazin-1-yl)propan-1-one
CID 122336474
1-(4-(6-(Ethylamino)pyridazin-3-yl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 122350867
2-[Methyl(2,2,2-trifluoroethyl)amino]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]propan-1-one
CID 126774178

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one?
The IUPAC name of 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one (CID 167822097) is 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one.
What is the SMILES notation for 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one?
The canonical SMILES for 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one is O=C1CN(CCCNc2ccc(F)nn2)CCN1.
What is the InChIKey of 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one?
The InChIKey is ZLRRFSWXGPXSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN5O/c12-9-2-3-10(16-15-9)13-4-1-6-17-7-5-14-11(18)8-17/h2-3H,1,4-8H2,(H,13,16)(H,14,18).
What are the key properties of 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one?
4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one has a molecular weight of 253.28 g/mol, XLogP of -0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6-fluoropyridazin-3-yl)amino]propyl]piperazin-2-one is sourced from PubChem (CID 167822097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).