5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

C15H25BrN4O — CID 107174264

IUPAC5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N(C)C2CCCNCC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-11(2)10-20-15(21)14(16)13(9-18-20)19(3)12-5-4-7-17-8-6-12/h9,11-12,17H,4-8,10H2,1-3H3
InChIKeySMWKZIKHSLIDNV-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.24
Rot. Bonds4

About 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one

5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 107174264) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
PubChem CID107174264
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(N(C)C2CCCNCC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-11(2)10-20-15(21)14(16)13(9-18-20)19(3)12-5-4-7-17-8-6-12/h9,11-12,17H,4-8,10H2,1-3H3
InChIKeySMWKZIKHSLIDNV-UHFFFAOYSA-N
XLogP2.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[azepan-4-yl(methyl)amino]-4-bromo-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

5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114443752
4-bromo-2-(2-hydroxyethyl)-5-[methyl(pyrrolidin-3-yl)amino]pyridazin-3-one
CID 114444964
4-bromo-2-(2-methylpropyl)-5-(piperidin-3-ylamino)pyridazin-3-one
CID 114445023
5-[2-aminoethyl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444666
3-[azepan-4-yl(methyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 107174117
4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
CID 114445044
5-[(4-aminocyclohexyl)-methylamino]-4-bromo-2-propylpyridazin-3-one
CID 114443755
4-bromo-2-(2-methylpropyl)-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445066
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-chloro-2-[2-(dimethylamino)ethyl]-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445081
4-chloro-2-(2-hydroxyethyl)-5-[methyl(piperidin-3-yl)amino]pyridazin-3-one
CID 114445107
4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950

Frequently Asked Questions

What is the IUPAC name of 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one (CID 107174264) is 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(N(C)C2CCCNCC2)c(Br)c1=O.
What is the InChIKey of 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is SMWKZIKHSLIDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-11(2)10-20-15(21)14(16)13(9-18-20)19(3)12-5-4-7-17-8-6-12/h9,11-12,17H,4-8,10H2,1-3H3.
What are the key properties of 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[azepan-4-yl(methyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 107174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).