4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one

C10H17BrN4O — CID 114446718

IUPAC4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
SMILESCNCC(C)CNc1cnn(C)c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-7(4-12-2)5-13-8-6-14-15(3)10(16)9(8)11/h6-7,12-13H,4-5H2,1-3H3
InChIKeyOHAJFIDGFSONJY-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.81
Rot. Bonds5

About 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one

4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one (PubChem CID 114446718) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
PubChem CID114446718
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one
SMILESCNCC(C)CNc1cnn(C)c(=O)c1Br
InChIInChI=1S/C10H17BrN4O/c1-7(4-12-2)5-13-8-6-14-15(3)10(16)9(8)11/h6-7,12-13H,4-5H2,1-3H3
InChIKeyOHAJFIDGFSONJY-UHFFFAOYSA-N
XLogP0.81
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-2-methyl-5-(2-pyrrolidin-1-ylpropylamino)pyridazin-3-one
CID 113235058
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-methylpyridazin-3-one
CID 114446694
4-bromo-5-[(5-hydroxy-4-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113340114
4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-5-[(2-hydroxy-2-methylpentyl)amino]-2-methylpyridazin-3-one
CID 113235103
4-bromo-2-methyl-5-[(1-methylcyclobutyl)methylamino]pyridazin-3-one
CID 103736991
4-bromo-5-hydrazinyl-2-methylpyridazin-3-one
CID 114443868
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
4-bromo-5-(but-3-ynylamino)-2-methylpyridazin-3-one
CID 115625317
4-bromo-2-methyl-5-(3-methylpentan-3-ylamino)pyridazin-3-one
CID 106329404
4-bromo-2-methyl-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 115624125

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one (CID 114446718) is 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one is CNCC(C)CNc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one?
The InChIKey is OHAJFIDGFSONJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-7(4-12-2)5-13-8-6-14-15(3)10(16)9(8)11/h6-7,12-13H,4-5H2,1-3H3.
What are the key properties of 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one?
4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one has a molecular weight of 289.18 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[[2-methyl-3-(methylamino)propyl]amino]pyridazin-3-one is sourced from PubChem (CID 114446718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).