2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one

C20H23N7O — CID 121145863

IUPAC2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N7O/c1-2-17(16-6-4-3-5-7-16)20(28)26-12-10-25(11-13-26)18-8-9-19(24-23-18)27-15-21-14-22-27/h3-9,14-15,17H,2,10-13H2,1H3
InChIKeyBRWLEQMIFZFCGR-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.90
Rot. Bonds5

About 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one

2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one (PubChem CID 121145863) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
PubChem CID121145863
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one
SMILESCCC(C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1)c1ccccc1
InChIInChI=1S/C20H23N7O/c1-2-17(16-6-4-3-5-7-16)20(28)26-12-10-25(11-13-26)18-8-9-19(24-23-18)27-15-21-14-22-27/h3-9,14-15,17H,2,10-13H2,1H3
InChIKeyBRWLEQMIFZFCGR-UHFFFAOYSA-N
XLogP1.90
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one with MolForge

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Related Compounds

2-propyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]pentan-1-one
CID 121145999
phenyl-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121145824
6-[4-(2-phenylbutanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 71094905
2-(2-methylphenyl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 121145945
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylbutan-1-one
CID 122343368
2-phenyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)butan-1-one
CID 2970650
1-[4-(2-methyl-6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 122337670
2-(1,2,4-triazol-1-yl)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 72719893
(2S)-1-[4-(3-ethyl-5-methyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-yl)piperazin-1-yl]-2-phenylbutan-1-one
CID 95114504
(4-phenoxyphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121146052
2-(4-fluorophenoxy)-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121145916
2-phenyl-1-[4-(2-phenylpyrimidin-4-yl)piperazin-1-yl]butan-1-one
CID 56537149

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one?
The IUPAC name of 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one (CID 121145863) is 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one is CCC(C(=O)N1CCN(c2ccc(-n3cncn3)nn2)CC1)c1ccccc1.
What is the InChIKey of 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one?
The InChIKey is BRWLEQMIFZFCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-2-17(16-6-4-3-5-7-16)20(28)26-12-10-25(11-13-26)18-8-9-19(24-23-18)27-15-21-14-22-27/h3-9,14-15,17H,2,10-13H2,1H3.
What are the key properties of 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one?
2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one has a molecular weight of 377.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-[4-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperazin-1-yl]butan-1-one is sourced from PubChem (CID 121145863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).