4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one

C14H24BrN3O — CID 114434648

IUPAC4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)CCCNc1cnn(CC(C)C)c(=O)c1Br
InChIInChI=1S/C14H24BrN3O/c1-10(2)6-5-7-16-12-8-17-18(9-11(3)4)14(19)13(12)15/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyDDLVNIJTJPFHNK-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.51
Rot. Bonds7

About 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one

4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114434648) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114434648
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)CCCNc1cnn(CC(C)C)c(=O)c1Br
InChIInChI=1S/C14H24BrN3O/c1-10(2)6-5-7-16-12-8-17-18(9-11(3)4)14(19)13(12)15/h8,10-11,16H,5-7,9H2,1-4H3
InChIKeyDDLVNIJTJPFHNK-UHFFFAOYSA-N
XLogP3.51
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)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-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106311127
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996
4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
3-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436543
4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106177626
4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 114437435
4-chloro-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136715
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-ethylacetamide
CID 114433599

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one (CID 114434648) is 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one is CC(C)CCCNc1cnn(CC(C)C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is DDLVNIJTJPFHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-10(2)6-5-7-16-12-8-17-18(9-11(3)4)14(19)13(12)15/h8,10-11,16H,5-7,9H2,1-4H3.
What are the key properties of 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one?
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 330.27 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114434648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).