4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one

C12H17BrN4O2 — CID 56789091

IUPAC4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
SMILESCC(CN1CCCC1=O)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C12H17BrN4O2/c1-8(7-17-5-3-4-10(17)18)15-9-6-14-16(2)12(19)11(9)13/h6,8,15H,3-5,7H2,1-2H3
InChIKeyAXHZOBOLQZWBGR-UHFFFAOYSA-N
MW329.20 g/mol
LogP0.97
Rot. Bonds4

About 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one

4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one (PubChem CID 56789091) has the molecular formula C12H17BrN4O2 and a molecular weight of 329.20 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
PubChem CID56789091
Molecular FormulaC12H17BrN4O2
Molecular Weight329.20 g/mol
Exact Mass328.05
IUPAC Name4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one
SMILESCC(CN1CCCC1=O)Nc1cnn(C)c(=O)c1Br
InChIInChI=1S/C12H17BrN4O2/c1-8(7-17-5-3-4-10(17)18)15-9-6-14-16(2)12(19)11(9)13/h6,8,15H,3-5,7H2,1-2H3
InChIKeyAXHZOBOLQZWBGR-UHFFFAOYSA-N
XLogP0.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(butan-2-ylamino)-2-methylpyridazin-3-one
CID 115623899
4-bromo-2-methyl-5-(pent-4-yn-2-ylamino)pyridazin-3-one
CID 115658848
4-bromo-5-(hexan-2-ylamino)-2-methylpyridazin-3-one
CID 114436919
4-bromo-2-methyl-5-[[(2S)-1-(2-methylpropoxy)propan-2-yl]amino]pyridazin-3-one
CID 95624933
4-bromo-2-methyl-5-[1-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ylamino]pyridazin-3-one
CID 133307289
4-bromo-2-methyl-5-(2-methylpentan-3-ylamino)pyridazin-3-one
CID 115624134
1-[2-[1-(4-bromophenyl)propylamino]propyl]pyrrolidin-2-one
CID 60931846
1-[2-[(3-bromopyrazolo[1,5-a]pyrimidin-5-yl)amino]propyl]pyrrolidin-2-one
CID 167973333
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
2-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]-3-methylbutanoic acid
CID 169493711
4-bromo-2-methyl-5-(2-methylsulfinylpropylamino)pyridazin-3-one
CID 115764304
4-bromo-5-[1-(4-ethylphenyl)ethylamino]-2-methylpyridazin-3-one
CID 115623969

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one (CID 56789091) is 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one is CC(CN1CCCC1=O)Nc1cnn(C)c(=O)c1Br.
What is the InChIKey of 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one?
The InChIKey is AXHZOBOLQZWBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4O2/c1-8(7-17-5-3-4-10(17)18)15-9-6-14-16(2)12(19)11(9)13/h6,8,15H,3-5,7H2,1-2H3.
What are the key properties of 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one?
4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one has a molecular weight of 329.20 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-[1-(2-oxopyrrolidin-1-yl)propan-2-ylamino]pyridazin-3-one is sourced from PubChem (CID 56789091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).