[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

C15H25N5O2 — CID 56803209

IUPAC[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)nn1
InChIInChI=1S/C15H25N5O2/c1-15(2,22)11-19-7-9-20(10-8-19)14(21)12-5-6-13(17-16-12)18(3)4/h5-6,22H,7-11H2,1-4H3
InChIKeyNNMKROIJTIJFNL-UHFFFAOYSA-N
MW307.40 g/mol
LogP0.07
Rot. Bonds4

About [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone

[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (PubChem CID 56803209) has the molecular formula C15H25N5O2 and a molecular weight of 307.40 g/mol. Its IUPAC name is [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
PubChem CID56803209
Molecular FormulaC15H25N5O2
Molecular Weight307.40 g/mol
Exact Mass307.20
IUPAC Name[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone
SMILESCN(C)c1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)nn1
InChIInChI=1S/C15H25N5O2/c1-15(2,22)11-19-7-9-20(10-8-19)14(21)12-5-6-13(17-16-12)18(3)4/h5-6,22H,7-11H2,1-4H3
InChIKeyNNMKROIJTIJFNL-UHFFFAOYSA-N
XLogP0.07
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone (CID 56803209) is [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is CN(C)c1ccc(C(=O)N2CCN(CC(C)(C)O)CC2)nn1.
What is the InChIKey of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
The InChIKey is NNMKROIJTIJFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O2/c1-15(2,22)11-19-7-9-20(10-8-19)14(21)12-5-6-13(17-16-12)18(3)4/h5-6,22H,7-11H2,1-4H3.
What are the key properties of [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone?
[6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone has a molecular weight of 307.40 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(dimethylamino)pyridazin-3-yl]-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56803209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).