4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

C17H23N7O — CID 50977262

IUPAC4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cn[nH]1
InChIInChI=1S/C17H23N7O/c25-17-10-14(12-20-21-17)22-6-8-24(9-7-22)16-11-15(18-13-19-16)23-4-2-1-3-5-23/h10-13H,1-9H2,(H,21,25)
InChIKeyMJYQIKSDTYKINH-UHFFFAOYSA-N
MW341.42 g/mol
LogP0.88
Rot. Bonds3

About 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one

4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (PubChem CID 50977262) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
PubChem CID50977262
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cn[nH]1
InChIInChI=1S/C17H23N7O/c25-17-10-14(12-20-21-17)22-6-8-24(9-7-22)16-11-15(18-13-19-16)23-4-2-1-3-5-23/h10-13H,1-9H2,(H,21,25)
InChIKeyMJYQIKSDTYKINH-UHFFFAOYSA-N
XLogP0.88
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one (CID 50977262) is 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is O=c1cc(N2CCN(c3cc(N4CCCCC4)ncn3)CC2)cn[nH]1.
What is the InChIKey of 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
The InChIKey is MJYQIKSDTYKINH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-17-10-14(12-20-21-17)22-6-8-24(9-7-22)16-11-15(18-13-19-16)23-4-2-1-3-5-23/h10-13H,1-9H2,(H,21,25).
What are the key properties of 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one?
4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one has a molecular weight of 341.42 g/mol, XLogP of 0.88, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 50977262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).