5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one

C15H23BrN4O — CID 114444194

IUPAC5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC2CC3CCC(C2)N3)c(Br)c1=O
InChIInChI=1S/C15H23BrN4O/c1-9(2)8-20-15(21)14(16)13(7-17-20)19-12-5-10-3-4-11(6-12)18-10/h7,9-12,18-19H,3-6,8H2,1-2H3
InChIKeyLCACAQWWOWFAME-UHFFFAOYSA-N
MW355.28 g/mol
LogP2.36
Rot. Bonds4

About 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one

5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one (PubChem CID 114444194) 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-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
PubChem CID114444194
Molecular FormulaC15H23BrN4O
Molecular Weight355.28 g/mol
Exact Mass354.11
IUPAC Name5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one
SMILESCC(C)Cn1ncc(NC2CC3CCC(C2)N3)c(Br)c1=O
InChIInChI=1S/C15H23BrN4O/c1-9(2)8-20-15(21)14(16)13(7-17-20)19-12-5-10-3-4-11(6-12)18-10/h7,9-12,18-19H,3-6,8H2,1-2H3
InChIKeyLCACAQWWOWFAME-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.28
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one with MolForge

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Related Compounds

4-bromo-2-(2-methylpropyl)-5-(piperidin-3-ylamino)pyridazin-3-one
CID 114445023
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-bromo-2-(2-methylpropyl)-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445066
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
4-bromo-2-ethyl-5-[(5-oxopyrrolidin-3-yl)amino]pyridazin-3-one
CID 106191769
4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
CID 114445044
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-(2-methylpropyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435149
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114434695
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106311127
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002

Frequently Asked Questions

What is the IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The IUPAC name of 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one (CID 114444194) is 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one.
What is the SMILES notation for 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The canonical SMILES for 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one is CC(C)Cn1ncc(NC2CC3CCC(C2)N3)c(Br)c1=O.
What is the InChIKey of 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
The InChIKey is LCACAQWWOWFAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN4O/c1-9(2)8-20-15(21)14(16)13(7-17-20)19-12-5-10-3-4-11(6-12)18-10/h7,9-12,18-19H,3-6,8H2,1-2H3.
What are the key properties of 5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one?
5-(8-azabicyclo[3.2.1]octan-3-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one has a molecular weight of 355.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 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-ylamino)-4-bromo-2-(2-methylpropyl)pyridazin-3-one is sourced from PubChem (CID 114444194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).