2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone

C16H18N4O — CID 170603873

IUPAC2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCNCC1c1cccnn1
InChIInChI=1S/C16H18N4O/c21-16(11-13-5-2-1-3-6-13)20-10-9-17-12-15(20)14-7-4-8-18-19-14/h1-8,15,17H,9-12H2
InChIKeyRYLPNHKSIIWDCW-UHFFFAOYSA-N
MW282.35 g/mol
LogP1.19
Rot. Bonds3

About 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone

2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone (PubChem CID 170603873) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone
PubChem CID170603873
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone
SMILESO=C(Cc1ccccc1)N1CCNCC1c1cccnn1
InChIInChI=1S/C16H18N4O/c21-16(11-13-5-2-1-3-6-13)20-10-9-17-12-15(20)14-7-4-8-18-19-14/h1-8,15,17H,9-12H2
InChIKeyRYLPNHKSIIWDCW-UHFFFAOYSA-N
XLogP1.19
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone (CID 170603873) is 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone is O=C(Cc1ccccc1)N1CCNCC1c1cccnn1.
What is the InChIKey of 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone?
The InChIKey is RYLPNHKSIIWDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c21-16(11-13-5-2-1-3-6-13)20-10-9-17-12-15(20)14-7-4-8-18-19-14/h1-8,15,17H,9-12H2.
What are the key properties of 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone?
2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone has a molecular weight of 282.35 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-(2-pyridazin-3-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 170603873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).