1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione

C25H26N4O2 — CID 121060031

IUPAC1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C25H26N4O2/c1-19-7-5-6-10-21(19)22-11-13-24(27-26-22)28-15-17-29(18-16-28)25(31)14-12-23(30)20-8-3-2-4-9-20/h2-11,13H,12,14-18H2,1H3
InChIKeyIMCIQFZCERUZNC-UHFFFAOYSA-N
MW414.51 g/mol
LogP3.76
Rot. Bonds6

About 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione

1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione (PubChem CID 121060031) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione.

Molecular Properties

Compound Name1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
PubChem CID121060031
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
SMILESCc1ccccc1-c1ccc(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)nn1
InChIInChI=1S/C25H26N4O2/c1-19-7-5-6-10-21(19)22-11-13-24(27-26-22)28-15-17-29(18-16-28)25(31)14-12-23(30)20-8-3-2-4-9-20/h2-11,13H,12,14-18H2,1H3
InChIKeyIMCIQFZCERUZNC-UHFFFAOYSA-N
XLogP3.76
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-cyclopentyl-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121060046
1-[4-[6-(4-ethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione
CID 121059755
1-(4-chlorophenyl)-4-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butane-1,4-dione
CID 108730014
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 121060009
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-pyridin-3-yloxyethanone
CID 121060095
3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121060067
6-methyl-3-[2-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121060045
3-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 121060100
[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 121060077
1-phenyl-4-(4-propan-2-ylpiperazin-1-yl)butane-1,4-dione
CID 91004491
(E)-1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-3-(4-nitrophenyl)prop-2-en-1-one
CID 121060058
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
The IUPAC name of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione (CID 121060031) is 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione.
What is the SMILES notation for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
The canonical SMILES for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione is Cc1ccccc1-c1ccc(N2CCN(C(=O)CCC(=O)c3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
The InChIKey is IMCIQFZCERUZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-19-7-5-6-10-21(19)22-11-13-24(27-26-22)28-15-17-29(18-16-28)25(31)14-12-23(30)20-8-3-2-4-9-20/h2-11,13H,12,14-18H2,1H3.
What are the key properties of 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione?
1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione has a molecular weight of 414.51 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(2-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-4-phenylbutane-1,4-dione is sourced from PubChem (CID 121060031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).