4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one

C14H23BrN4O — CID 114436057

IUPAC4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCN2CCCCC2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-2-7-19-14(20)13(15)12(11-17-19)16-6-10-18-8-4-3-5-9-18/h11,16H,2-10H2,1H3
InChIKeyDCUWUYADOYRIQE-UHFFFAOYSA-N
MW343.27 g/mol
LogP2.31
Rot. Bonds6

About 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one

4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one (PubChem CID 114436057) has the molecular formula C14H23BrN4O and a molecular weight of 343.27 g/mol. Its IUPAC name is 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
PubChem CID114436057
Molecular FormulaC14H23BrN4O
Molecular Weight343.27 g/mol
Exact Mass342.11
IUPAC Name4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCN2CCCCC2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O/c1-2-7-19-14(20)13(15)12(11-17-19)16-6-10-18-8-4-3-5-9-18/h11,16H,2-10H2,1H3
InChIKeyDCUWUYADOYRIQE-UHFFFAOYSA-N
XLogP2.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.27
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-5-(2-piperidin-1-ylethylamino)-2-prop-2-ynylpyridazin-3-one
CID 114436054
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325882
4-bromo-2-propan-2-yl-5-(2-pyrrolidin-1-ylethylamino)pyridazin-3-one
CID 114437350
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
4-bromo-5-(hex-5-ynylamino)-2-propylpyridazin-3-one
CID 106214519
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960
4-bromo-2-(2-hydroxyethyl)-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325980
4-bromo-2-propyl-5-(2-prop-2-ynylsulfanylethylamino)pyridazin-3-one
CID 114187896
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one (CID 114436057) is 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCCN2CCCCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one?
The InChIKey is DCUWUYADOYRIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O/c1-2-7-19-14(20)13(15)12(11-17-19)16-6-10-18-8-4-3-5-9-18/h11,16H,2-10H2,1H3.
What are the key properties of 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one?
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one has a molecular weight of 343.27 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114436057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).