[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone

C16H18N4O — CID 99974574

IUPAC[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccnnc2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H18N4O/c1-19-9-10-20(16(21)14-7-8-17-18-11-14)12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3/t15-/m0/s1
InChIKeyFLOYISCBJRIPFH-HNNXBMFYSA-N
MW282.35 g/mol
LogP1.61
Rot. Bonds2

About [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone

[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone (PubChem CID 99974574) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone.

Molecular Properties

Compound Name[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone
PubChem CID99974574
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone
SMILESCN1CCN(C(=O)c2ccnnc2)C[C@H]1c1ccccc1
InChIInChI=1S/C16H18N4O/c1-19-9-10-20(16(21)14-7-8-17-18-11-14)12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3/t15-/m0/s1
InChIKeyFLOYISCBJRIPFH-HNNXBMFYSA-N
XLogP1.61
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone?
The IUPAC name of [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone (CID 99974574) is [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone.
What is the SMILES notation for [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone?
The canonical SMILES for [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone is CN1CCN(C(=O)c2ccnnc2)C[C@H]1c1ccccc1.
What is the InChIKey of [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone?
The InChIKey is FLOYISCBJRIPFH-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-19-9-10-20(16(21)14-7-8-17-18-11-14)12-15(19)13-5-3-2-4-6-13/h2-8,11,15H,9-10,12H2,1H3/t15-/m0/s1.
What are the key properties of [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone?
[(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone has a molecular weight of 282.35 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4-methyl-3-phenylpiperazin-1-yl]-pyridazin-4-ylmethanone is sourced from PubChem (CID 99974574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).