4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one

C10H13N3O — CID 123292809

IUPAC4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one
SMILESCC(=O)C(=CN(C)C)c1ccnnc1
InChIInChI=1S/C10H13N3O/c1-8(14)10(7-13(2)3)9-4-5-11-12-6-9/h4-7H,1-3H3
InChIKeyDEIPGAVSOPHXPY-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.97
Rot. Bonds3

About 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one

4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one (PubChem CID 123292809) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one.

Molecular Properties

Compound Name4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one
PubChem CID123292809
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one
SMILESCC(=O)C(=CN(C)C)c1ccnnc1
InChIInChI=1S/C10H13N3O/c1-8(14)10(7-13(2)3)9-4-5-11-12-6-9/h4-7H,1-3H3
InChIKeyDEIPGAVSOPHXPY-UHFFFAOYSA-N
XLogP0.97
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-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 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one?
The IUPAC name of 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one (CID 123292809) is 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one.
What is the SMILES notation for 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one?
The canonical SMILES for 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one is CC(=O)C(=CN(C)C)c1ccnnc1.
What is the InChIKey of 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one?
The InChIKey is DEIPGAVSOPHXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-8(14)10(7-13(2)3)9-4-5-11-12-6-9/h4-7H,1-3H3.
What are the key properties of 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one?
4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one has a molecular weight of 191.23 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-3-pyridazin-4-ylbut-3-en-2-one is sourced from PubChem (CID 123292809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).