4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

C19H24N4O2 — CID 91834549

IUPAC4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(CC3CCOC3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H24N4O2/c24-18-12-17(19(21-20-18)16-4-2-1-3-5-16)23-9-7-22(8-10-23)13-15-6-11-25-14-15/h1-5,12,15H,6-11,13-14H2,(H,20,24)
InChIKeyZMVYGRVDGOFGET-UHFFFAOYSA-N
MW340.43 g/mol
LogP1.60
Rot. Bonds4

About 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (PubChem CID 91834549) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
PubChem CID91834549
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCN(CC3CCOC3)CC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C19H24N4O2/c24-18-12-17(19(21-20-18)16-4-2-1-3-5-16)23-9-7-22(8-10-23)13-15-6-11-25-14-15/h1-5,12,15H,6-11,13-14H2,(H,20,24)
InChIKeyZMVYGRVDGOFGET-UHFFFAOYSA-N
XLogP1.60
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one (CID 91834549) is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The canonical SMILES for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is O=c1cc(N2CCN(CC3CCOC3)CC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
The InChIKey is ZMVYGRVDGOFGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c24-18-12-17(19(21-20-18)16-4-2-1-3-5-16)23-9-7-22(8-10-23)13-15-6-11-25-14-15/h1-5,12,15H,6-11,13-14H2,(H,20,24).
What are the key properties of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one?
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one has a molecular weight of 340.43 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-3-phenyl-1H-pyridazin-6-one is sourced from PubChem (CID 91834549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).