6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

C19H22N6O — CID 155161660

IUPAC6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCN(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C19H22N6O/c1-23(2)17-6-3-15(4-7-17)13-19(26)25-11-9-24(10-12-25)18-8-5-16(14-20)21-22-18/h3-8H,9-13H2,1-2H3
InChIKeyWZGRSIMGJMUFMC-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.31
Rot. Bonds4

About 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile

6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (PubChem CID 155161660) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
PubChem CID155161660
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile
SMILESCN(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1
InChIInChI=1S/C19H22N6O/c1-23(2)17-6-3-15(4-7-17)13-19(26)25-11-9-24(10-12-25)18-8-5-16(14-20)21-22-18/h3-8H,9-13H2,1-2H3
InChIKeyWZGRSIMGJMUFMC-UHFFFAOYSA-N
XLogP1.31
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile (CID 155161660) is 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is CN(C)c1ccc(CC(=O)N2CCN(c3ccc(C#N)nn3)CC2)cc1.
What is the InChIKey of 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
The InChIKey is WZGRSIMGJMUFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-23(2)17-6-3-15(4-7-17)13-19(26)25-11-9-24(10-12-25)18-8-5-16(14-20)21-22-18/h3-8H,9-13H2,1-2H3.
What are the key properties of 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile?
6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile has a molecular weight of 350.43 g/mol, XLogP of 1.31, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-[4-(dimethylamino)phenyl]acetyl]piperazin-1-yl]pyridazine-3-carbonitrile is sourced from PubChem (CID 155161660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).