4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one

C9H13Br2N3O — CID 114526399

IUPAC4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C9H13Br2N3O/c1-13(2)4-3-5-14-9(15)8(11)7(10)6-12-14/h6H,3-5H2,1-2H3
InChIKeyWFXFJAAAAOIDES-UHFFFAOYSA-N
MW339.03 g/mol
LogP1.72
Rot. Bonds4

About 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one

4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one (PubChem CID 114526399) has the molecular formula C9H13Br2N3O and a molecular weight of 339.03 g/mol. Its IUPAC name is 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one.

Molecular Properties

Compound Name4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one
PubChem CID114526399
Molecular FormulaC9H13Br2N3O
Molecular Weight339.03 g/mol
Exact Mass336.94
IUPAC Name4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one
SMILESCN(C)CCCn1ncc(Br)c(Br)c1=O
InChIInChI=1S/C9H13Br2N3O/c1-13(2)4-3-5-14-9(15)8(11)7(10)6-12-14/h6H,3-5H2,1-2H3
InChIKeyWFXFJAAAAOIDES-UHFFFAOYSA-N
XLogP1.72
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one with MolForge

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

Launch Full Analysis

Related Compounds

3(2H)-Pyridazinone, 4,5-dibromo-2-methyl-
CID 203012
4,5-Dibromo-2-(cyclopropylmethyl)pyridazin-3-one
CID 97178758
4,5-Dibromo-2-(2-fluoroethyl)pyridazin-3-one
CID 99718033
4,5-Dibromo-2-(3-fluoropropyl)pyridazin-3-one
CID 115705911
4,5-Dibromo-2-(5-fluoropentyl)pyridazin-3-one
CID 121527037
3(2H)-Pyridazinone, 4,5-dibromo-2-ethyl-
CID 10660506
4,5-Dibromo-2-propylpyridazin-3-one
CID 10756312
2-i-propyl-4,5-dibromo-3(2H)pyridazinone
CID 10827742
4,5-dibromo-2-(tert-butyl)-3(2H)-pyridazinone
CID 13852600
4-Bromo-2-butyl-5-sulfanylpyridazin-3-one
CID 19828382
4,5-Dibromo-2-(3,3-dimethylbutyl)pyridazin-3-one
CID 57436845
4,5-Dibromo-2-pentylpyridazin-3-one
CID 69189705

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The IUPAC name of 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one (CID 114526399) is 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one.
What is the SMILES notation for 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The canonical SMILES for 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one is CN(C)CCCn1ncc(Br)c(Br)c1=O.
What is the InChIKey of 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one?
The InChIKey is WFXFJAAAAOIDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2N3O/c1-13(2)4-3-5-14-9(15)8(11)7(10)6-12-14/h6H,3-5H2,1-2H3.
What are the key properties of 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one?
4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one has a molecular weight of 339.03 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-[3-(dimethylamino)propyl]pyridazin-3-one is sourced from PubChem (CID 114526399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).