3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one

C16H20N4O — CID 10446603

IUPAC3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCN(CCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H20N4O/c21-16-7-6-15(17-18-16)20-12-10-19(11-13-20)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,18,21)
InChIKeyVEGIFTNUKIEUFE-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.13
Rot. Bonds4

About 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one

3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 10446603) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID10446603
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(N2CCN(CCc3ccccc3)CC2)n[nH]1
InChIInChI=1S/C16H20N4O/c21-16-7-6-15(17-18-16)20-12-10-19(11-13-20)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,18,21)
InChIKeyVEGIFTNUKIEUFE-UHFFFAOYSA-N
XLogP1.13
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one (CID 10446603) is 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one is O=c1ccc(N2CCN(CCc3ccccc3)CC2)n[nH]1.
What is the InChIKey of 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is VEGIFTNUKIEUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c21-16-7-6-15(17-18-16)20-12-10-19(11-13-20)9-8-14-4-2-1-3-5-14/h1-7H,8-13H2,(H,18,21).
What are the key properties of 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one?
3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 284.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-phenylethyl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 10446603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).