3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one

C14H16N4O — CID 2767916

IUPAC3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCNCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H16N4O/c19-13-10-12(18-8-6-15-7-9-18)14(17-16-13)11-4-2-1-3-5-11/h1-5,10,15H,6-9H2,(H,16,19)
InChIKeyBTLOOVKBRJZVLB-UHFFFAOYSA-N
MW256.31 g/mol
LogP0.85
Rot. Bonds2

About 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one

3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one (PubChem CID 2767916) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one
PubChem CID2767916
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one
SMILESO=c1cc(N2CCNCC2)c(-c2ccccc2)n[nH]1
InChIInChI=1S/C14H16N4O/c19-13-10-12(18-8-6-15-7-9-18)14(17-16-13)11-4-2-1-3-5-11/h1-5,10,15H,6-9H2,(H,16,19)
InChIKeyBTLOOVKBRJZVLB-UHFFFAOYSA-N
XLogP0.85
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one?
The IUPAC name of 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one (CID 2767916) is 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one.
What is the SMILES notation for 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one?
The canonical SMILES for 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one is O=c1cc(N2CCNCC2)c(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one?
The InChIKey is BTLOOVKBRJZVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-13-10-12(18-8-6-15-7-9-18)14(17-16-13)11-4-2-1-3-5-11/h1-5,10,15H,6-9H2,(H,16,19).
What are the key properties of 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one?
3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one has a molecular weight of 256.31 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-piperazin-1-yl-1H-pyridazin-6-one is sourced from PubChem (CID 2767916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).