5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one

C15H23BrN4O — CID 114444218

IUPAC5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
SMILESCCN(c1cnn(CC)c(=O)c1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C15H23BrN4O/c1-3-19(12-7-10-5-6-11(8-12)18-10)13-9-17-20(4-2)15(21)14(13)16/h9-12,18H,3-8H2,1-2H3
InChIKeyCDBBENOBZPAFMU-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.13
Rot. Bonds4

About 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one

5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one (PubChem CID 114444218) has the molecular formula C15H23BrN4O and a molecular weight of 355.28 g/mol. Its IUPAC name is 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
PubChem CID114444218
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one
SMILESCCN(c1cnn(CC)c(=O)c1Br)C1CC2CCC(C1)N2
InChIInChI=1S/C15H23BrN4O/c1-3-19(12-7-10-5-6-11(8-12)18-10)13-9-17-20(4-2)15(21)14(13)16/h9-12,18H,3-8H2,1-2H3
InChIKeyCDBBENOBZPAFMU-UHFFFAOYSA-N
XLogP2.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one with MolForge

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Related Compounds

5-[8-azabicyclo[3.2.1]octan-3-yl(methyl)amino]-4-chloro-2-ethylpyridazin-3-one
CID 114444208
4-bromo-2-ethyl-5-[ethyl(piperidin-3-ylmethyl)amino]pyridazin-3-one
CID 106643456
4-bromo-2-ethyl-5-[methyl(piperidin-2-ylmethyl)amino]pyridazin-3-one
CID 106642106
4-bromo-2-ethyl-5-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]pyridazin-3-one
CID 106618950
4-bromo-5-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-2-ethylpyridazin-3-one
CID 106620067
N-ethyl-N-(1-methylimidazol-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 62132381
4,5-dibromo-2-ethylpyridazin-3-one
CID 10660506
4-bromo-2-ethyl-5-[piperidin-3-ylmethyl(propyl)amino]pyridazin-3-one
CID 106644106
5-[[2-(aminomethyl)cyclopentyl]-ethylamino]-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114445942
5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114444194
N-ethyl-N-(5-methoxypyrimidin-2-yl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114600871
4-bromo-5-[ethyl(piperidin-4-ylmethyl)amino]-2-propylpyridazin-3-one
CID 114446386

Frequently Asked Questions

What is the IUPAC name of 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
The IUPAC name of 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one (CID 114444218) is 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
The canonical SMILES for 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one is CCN(c1cnn(CC)c(=O)c1Br)C1CC2CCC(C1)N2.
What is the InChIKey of 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
The InChIKey is CDBBENOBZPAFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-3-19(12-7-10-5-6-11(8-12)18-10)13-9-17-20(4-2)15(21)14(13)16/h9-12,18H,3-8H2,1-2H3.
What are the key properties of 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one?
5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one has a molecular weight of 355.28 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-azabicyclo[3.2.1]octan-3-yl(ethyl)amino]-4-bromo-2-ethylpyridazin-3-one is sourced from PubChem (CID 114444218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).