4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one

C13H21BrN4O — CID 106642106

IUPAC4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCn1ncc(N(C)CC2CCCCN2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O/c1-3-18-13(19)12(14)11(8-16-18)17(2)9-10-6-4-5-7-15-10/h8,10,15H,3-7,9H2,1-2H3
InChIKeyUFWFVFSYDFHIRM-UHFFFAOYSA-N
MW329.24 g/mol
LogP1.60
Rot. Bonds4

About 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one

4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one (PubChem CID 106642106) has the molecular formula C13H21BrN4O and a molecular weight of 329.24 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
PubChem CID106642106
Molecular FormulaC13H21BrN4O
Molecular Weight329.24 g/mol
Exact Mass328.09
IUPAC Name4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
SMILESCCn1ncc(N(C)CC2CCCCN2)c(Br)c1=O
InChIInChI=1S/C13H21BrN4O/c1-3-18-13(19)12(14)11(8-16-18)17(2)9-10-6-4-5-7-15-10/h8,10,15H,3-7,9H2,1-2H3
InChIKeyUFWFVFSYDFHIRM-UHFFFAOYSA-N
XLogP1.60
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.24
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]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

4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950
4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 106620067
4-bromo-2-(cyclopropylmethyl)-5-[ethyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619493
4-bromo-2-(2-hydroxyethyl)-5-[propyl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106619580
N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-1-piperidin-2-ylmethanamine
CID 102550778
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-prop-2-enylpyridazin-3-one
CID 106600142
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-bromo-2-propan-2-yl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618884
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
4-bromo-5-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]-2-propan-2-ylpyridazin-3-one
CID 106600112
5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
CID 114444218
4-bromo-2-ethyl-5-(2-pyrrolidin-2-ylpiperidin-1-yl)pyridazin-3-one
CID 114444871

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one (CID 106642106) is 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one is CCn1ncc(N(C)CC2CCCCN2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one?
The InChIKey is UFWFVFSYDFHIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21BrN4O/c1-3-18-13(19)12(14)11(8-16-18)17(2)9-10-6-4-5-7-15-10/h8,10,15H,3-7,9H2,1-2H3.
What are the key properties of 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one?
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one has a molecular weight of 329.24 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one is sourced from PubChem (CID 106642106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).