4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one

C14H25BrN4O — CID 114436674

IUPAC4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one
SMILESCCn1ncc(NCCCCN(C)C(C)C)c(Br)c1=O
InChIInChI=1S/C14H25BrN4O/c1-5-19-14(20)13(15)12(10-17-19)16-8-6-7-9-18(4)11(2)3/h10-11,16H,5-9H2,1-4H3
InChIKeySYBSKJCADNJKIA-UHFFFAOYSA-N
MW345.29 g/mol
LogP2.56
Rot. Bonds8

About 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one

4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one (PubChem CID 114436674) has the molecular formula C14H25BrN4O and a molecular weight of 345.29 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one
PubChem CID114436674
Molecular FormulaC14H25BrN4O
Molecular Weight345.29 g/mol
Exact Mass344.12
IUPAC Name4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one
SMILESCCn1ncc(NCCCCN(C)C(C)C)c(Br)c1=O
InChIInChI=1S/C14H25BrN4O/c1-5-19-14(20)13(15)12(10-17-19)16-8-6-7-9-18(4)11(2)3/h10-11,16H,5-9H2,1-4H3
InChIKeySYBSKJCADNJKIA-UHFFFAOYSA-N
XLogP2.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.29
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]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-5-[3-(dimethylamino)propylamino]-2-ethylpyridazin-3-one
CID 114432587
4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437451
4-bromo-2-ethyl-5-(3-ethylsulfanylpropylamino)pyridazin-3-one
CID 114248240
4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one
CID 114442599
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-(2,2,3-trimethylbutylamino)pyridazin-3-one
CID 114100754
4-bromo-2-ethyl-5-(3-phenoxypropylamino)pyridazin-3-one
CID 114437016
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-ethylpyridazin-3-one
CID 114436162
4-chloro-5-[3-[methyl(propan-2-yl)amino]propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106048521
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
ethyl 3-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]propanoate
CID 114436700

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one (CID 114436674) is 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one is CCn1ncc(NCCCCN(C)C(C)C)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one?
The InChIKey is SYBSKJCADNJKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4O/c1-5-19-14(20)13(15)12(10-17-19)16-8-6-7-9-18(4)11(2)3/h10-11,16H,5-9H2,1-4H3.
What are the key properties of 4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one?
4-bromo-2-ethyl-5-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one has a molecular weight of 345.29 g/mol, XLogP of 2.56, 8 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-[4-[methyl(propan-2-yl)amino]butylamino]pyridazin-3-one is sourced from PubChem (CID 114436674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).