3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one

C17H22N4O — CID 10379947

IUPAC3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCN(CCCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H22N4O/c22-17-9-8-16(18-19-17)21-13-11-20(12-14-21)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9H,4,7,10-14H2,(H,19,22)
InChIKeyHOIVDSACIRWBPR-UHFFFAOYSA-N
MW298.39 g/mol
LogP1.52
Rot. Bonds5

About 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one

3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 10379947) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID10379947
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCN(CCCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C17H22N4O/c22-17-9-8-16(18-19-17)21-13-11-20(12-14-21)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9H,4,7,10-14H2,(H,19,22)
InChIKeyHOIVDSACIRWBPR-UHFFFAOYSA-N
XLogP1.52
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 10379947) is 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCN(CCCc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is HOIVDSACIRWBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c22-17-9-8-16(18-19-17)21-13-11-20(12-14-21)10-4-7-15-5-2-1-3-6-15/h1-3,5-6,8-9H,4,7,10-14H2,(H,19,22).
What are the key properties of 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one?
3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 298.39 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-phenylpropyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 10379947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).