4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one

C15H25BrN4O — CID 114434811

IUPAC4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCCN(CC)C2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-5-9-20-15(21)14(16)13(10-17-20)18-12-7-6-8-19(4-2)11-12/h10,12,18H,3-9,11H2,1-2H3
InChIKeyLZLZGFORIDFOCT-UHFFFAOYSA-N
MW357.30 g/mol
LogP2.70
Rot. Bonds6

About 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one

4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one (PubChem CID 114434811) has the molecular formula C15H25BrN4O and a molecular weight of 357.30 g/mol. Its IUPAC name is 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one
PubChem CID114434811
Molecular FormulaC15H25BrN4O
Molecular Weight357.30 g/mol
Exact Mass356.12
IUPAC Name4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NC2CCCN(CC)C2)c(Br)c1=O
InChIInChI=1S/C15H25BrN4O/c1-3-5-9-20-15(21)14(16)13(10-17-20)18-12-7-6-8-19(4-2)11-12/h10,12,18H,3-9,11H2,1-2H3
InChIKeyLZLZGFORIDFOCT-UHFFFAOYSA-N
XLogP2.70
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-butyl-5-(oxolan-3-ylamino)pyridazin-3-one
CID 114440486
4-bromo-5-[(1-ethylpiperidin-4-yl)amino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434748
4-bromo-2-butyl-5-[(2-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114436813
5-[(1-benzylpiperidin-3-yl)amino]-4-bromo-2-methylpyridazin-3-one
CID 133303350
methyl 2-[5-bromo-4-[(1-methylpiperidin-3-yl)amino]-6-oxopyridazin-1-yl]acetate
CID 114434910
4-bromo-2-butyl-5-(1-cyclopropylethylamino)pyridazin-3-one
CID 114433336
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
4-bromo-2-butyl-5-(1-cyclopropylpropan-2-ylamino)pyridazin-3-one
CID 114438353
4-bromo-2-(2-hydroxyethyl)-5-[(1-methyl-6-oxopiperidin-3-yl)amino]pyridazin-3-one
CID 114438997
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-bromo-2-butyl-5-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-one
CID 114433444

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one?
The IUPAC name of 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one (CID 114434811) is 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one?
The canonical SMILES for 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one is CCCCn1ncc(NC2CCCN(CC)C2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one?
The InChIKey is LZLZGFORIDFOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN4O/c1-3-5-9-20-15(21)14(16)13(10-17-20)18-12-7-6-8-19(4-2)11-12/h10,12,18H,3-9,11H2,1-2H3.
What are the key properties of 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one?
4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one has a molecular weight of 357.30 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-butyl-5-[(1-ethylpiperidin-3-yl)amino]pyridazin-3-one is sourced from PubChem (CID 114434811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).