4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one

C10H13BrN4O2 — CID 115624182

IUPAC4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2CCC(=O)NC2)c(Br)c1=O
InChIInChI=1S/C10H13BrN4O2/c1-15-10(17)9(11)7(5-13-15)14-6-2-3-8(16)12-4-6/h5-6,14H,2-4H2,1H3,(H,12,16)
InChIKeyRDPYPDAIWJTZBG-UHFFFAOYSA-N
MW301.14 g/mol
LogP0.23
Rot. Bonds2

About 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one

4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 115624182) has the molecular formula C10H13BrN4O2 and a molecular weight of 301.14 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
PubChem CID115624182
Molecular FormulaC10H13BrN4O2
Molecular Weight301.14 g/mol
Exact Mass300.02
IUPAC Name4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
SMILESCn1ncc(NC2CCC(=O)NC2)c(Br)c1=O
InChIInChI=1S/C10H13BrN4O2/c1-15-10(17)9(11)7(5-13-15)14-6-2-3-8(16)12-4-6/h5-6,14H,2-4H2,1H3,(H,12,16)
InChIKeyRDPYPDAIWJTZBG-UHFFFAOYSA-N
XLogP0.23
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.14
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-[(6-oxopiperidin-3-yl)amino]-2-prop-2-enylpyridazin-3-one
CID 114437939
4-bromo-5-[(4-hydroxycyclohexyl)amino]-2-methylpyridazin-3-one
CID 103844308
4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191769
4-bromo-2-methyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ylamino)pyridazin-3-one
CID 86942836
4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060109
4-bromo-2-(2-methoxyethyl)-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191911
2-butyl-4-chloro-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114437934
4-bromo-2-methyl-5-[(1-propylsulfonylpiperidin-4-yl)amino]pyridazin-3-one
CID 133303428
ethyl 4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]piperidine-1-carboxylate
CID 115623973
4-bromo-5-[(3-ethylsulfinylcyclohexyl)amino]-2-methylpyridazin-3-one
CID 133338214
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729
1-methyl-3-[(6-oxopiperidin-3-yl)amino]pyrazin-2-one
CID 63660882

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one (CID 115624182) is 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one is Cn1ncc(NC2CCC(=O)NC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is RDPYPDAIWJTZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN4O2/c1-15-10(17)9(11)7(5-13-15)14-6-2-3-8(16)12-4-6/h5-6,14H,2-4H2,1H3,(H,12,16).
What are the key properties of 4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one?
4-bromo-2-methyl-5-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 301.14 g/mol, XLogP of 0.23, 2 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-[(6-oxopiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 115624182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).