1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

C13H21N5O — CID 71807485

IUPAC1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C13H21N5O/c1-4-13(19)18-7-5-17(6-8-18)12-9-11(16(2)3)10-14-15-12/h9-10H,4-8H2,1-3H3
InChIKeyAOSYZYDODBYZPY-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.60
Rot. Bonds3

About 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one

1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 71807485) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID71807485
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESCCC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1
InChIInChI=1S/C13H21N5O/c1-4-13(19)18-7-5-17(6-8-18)12-9-11(16(2)3)10-14-15-12/h9-10H,4-8H2,1-3H3
InChIKeyAOSYZYDODBYZPY-UHFFFAOYSA-N
XLogP0.60
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 71807485) is 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is CCC(=O)N1CCN(c2cc(N(C)C)cnn2)CC1.
What is the InChIKey of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is AOSYZYDODBYZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-4-13(19)18-7-5-17(6-8-18)12-9-11(16(2)3)10-14-15-12/h9-10H,4-8H2,1-3H3.
What are the key properties of 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 263.34 g/mol, XLogP of 0.60, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 71807485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).