4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one

C14H25BrN4O2 — CID 114437435

IUPAC4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCOCCN(C)CCNc1cnn(CC(C)C)c(=O)c1Br
InChIInChI=1S/C14H25BrN4O2/c1-11(2)10-19-14(20)13(15)12(9-17-19)16-5-6-18(3)7-8-21-4/h9,11,16H,5-8,10H2,1-4H3
InChIKeyVTHQQUSZBXRKBK-UHFFFAOYSA-N
MW361.28 g/mol
LogP1.65
Rot. Bonds9

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

4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114437435) has the molecular formula C14H25BrN4O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114437435
Molecular FormulaC14H25BrN4O2
Molecular Weight361.28 g/mol
Exact Mass360.12
IUPAC Name4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one
SMILESCOCCN(C)CCNc1cnn(CC(C)C)c(=O)c1Br
InChIInChI=1S/C14H25BrN4O2/c1-11(2)10-19-14(20)13(15)12(9-17-19)16-5-6-18(3)7-8-21-4/h9,11,16H,5-8,10H2,1-4H3
InChIKeyVTHQQUSZBXRKBK-UHFFFAOYSA-N
XLogP1.65
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-ethyl-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]pyridazin-3-one
CID 114437451
4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-propan-2-ylpyridazin-3-one
CID 114437453
4-bromo-5-(2-ethoxyethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114433703
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106311127
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N,N-dimethylacetamide
CID 114433014
4-bromo-5-(4-hydroxypentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 106136743
4-bromo-2-[2-(dimethylamino)ethyl]-5-[2-(2-methoxyethylamino)ethylamino]pyridazin-3-one
CID 114447121
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
4-bromo-5-(2-imidazol-1-ylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114435124
3-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-propylpropanamide
CID 114436543
2-[[5-bromo-1-(2-methylpropyl)-6-oxopyridazin-4-yl]amino]-N-methylacetamide
CID 114432996

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one (CID 114437435) is 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one is COCCN(C)CCNc1cnn(CC(C)C)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is VTHQQUSZBXRKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25BrN4O2/c1-11(2)10-19-14(20)13(15)12(9-17-19)16-5-6-18(3)7-8-21-4/h9,11,16H,5-8,10H2,1-4H3.
What are the key properties of 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one?
4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 361.28 g/mol, XLogP of 1.65, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-[2-methoxyethyl(methyl)amino]ethylamino]-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114437435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).