4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one

C15H25BrN4O — CID 114445044

IUPAC4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2CCCNC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-11(2)10-20-15(21)14(16)13(9-19-20)18-7-5-12-4-3-6-17-8-12/h9,11-12,17-18H,3-8,10H2,1-2H3
InChIKeyOKGFTUYHBLLSJS-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.46
Rot. Bonds6

About 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one

4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one (PubChem CID 114445044) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
PubChem CID114445044
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
SMILESCC(C)Cn1ncc(NCCC2CCCNC2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-11(2)10-20-15(21)14(16)13(9-19-20)18-7-5-12-4-3-6-17-8-12/h9,11-12,17-18H,3-8,10H2,1-2H3
InChIKeyOKGFTUYHBLLSJS-UHFFFAOYSA-N
XLogP2.46
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-2-(2-methylpropyl)-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445066
4-bromo-2-(2-hydroxyethyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one
CID 114445051
4-bromo-2-ethyl-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445059
4-bromo-2-(2-methylpropyl)-5-(piperidin-3-ylamino)pyridazin-3-one
CID 114445023
4-bromo-2-prop-2-enyl-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445060
4-bromo-2-(2-methylpropyl)-5-[2-(oxolan-2-yl)ethylamino]pyridazin-3-one
CID 114434695
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
4-chloro-5-(2-cyclopentylethylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434019
4-bromo-5-(4-methylpentylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114434648
5-[(2-amino-2-cyclopropylethyl)amino]-4-bromo-2-(2-methylpropyl)pyridazin-3-one
CID 114446681
4-chloro-2-(2-methylpropyl)-5-[2-[(2S)-pyrrolidin-2-yl]ethylamino]pyridazin-3-one
CID 104973422
4-bromo-5-[2-(cyclopenten-1-yl)ethylamino]-2-(2-methylpropyl)pyridazin-3-one
CID 106177626

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one (CID 114445044) is 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one is CC(C)Cn1ncc(NCCC2CCCNC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one?
The InChIKey is OKGFTUYHBLLSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-11(2)10-20-15(21)14(16)13(9-19-20)18-7-5-12-4-3-6-17-8-12/h9,11-12,17-18H,3-8,10H2,1-2H3.
What are the key properties of 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one?
4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-methylpropyl)-5-(2-piperidin-3-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 114445044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).