4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one

C10H14BrN3O — CID 28693448

IUPAC4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCCC2)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O/c1-13-10(15)9(11)8(7-12-13)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyLYQNVAPWZATPOH-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.53
Rot. Bonds1

About 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one

4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one (PubChem CID 28693448) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one
PubChem CID28693448
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one
SMILESCn1ncc(N2CCCCC2)c(Br)c1=O
InChIInChI=1S/C10H14BrN3O/c1-13-10(15)9(11)8(7-12-13)14-5-3-2-4-6-14/h7H,2-6H2,1H3
InChIKeyLYQNVAPWZATPOH-UHFFFAOYSA-N
XLogP1.53
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one (CID 28693448) is 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one is Cn1ncc(N2CCCCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one?
The InChIKey is LYQNVAPWZATPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c1-13-10(15)9(11)8(7-12-13)14-5-3-2-4-6-14/h7H,2-6H2,1H3.
What are the key properties of 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one?
4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one has a molecular weight of 272.15 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methyl-5-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 28693448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).