4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one

C14H23BrN4O2 — CID 114445240

IUPAC4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCOC2CCNCC2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-2-8-19-14(20)13(15)12(10-18-19)17-7-9-21-11-3-5-16-6-4-11/h10-11,16-17H,2-9H2,1H3
InChIKeyFNDZPFKDEBZBRV-UHFFFAOYSA-N
MW359.27 g/mol
LogP1.60
Rot. Bonds7

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

4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one (PubChem CID 114445240) has the molecular formula C14H23BrN4O2 and a molecular weight of 359.27 g/mol. Its IUPAC name is 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one
PubChem CID114445240
Molecular FormulaC14H23BrN4O2
Molecular Weight359.27 g/mol
Exact Mass358.10
IUPAC Name4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCCOC2CCNCC2)c(Br)c1=O
InChIInChI=1S/C14H23BrN4O2/c1-2-8-19-14(20)13(15)12(10-18-19)17-7-9-21-11-3-5-16-6-4-11/h10-11,16-17H,2-9H2,1H3
InChIKeyFNDZPFKDEBZBRV-UHFFFAOYSA-N
XLogP1.60
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.27
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-prop-2-enylpyridazin-3-one
CID 114445235
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-propylpyridazin-3-one
CID 106311115
4-bromo-2-propyl-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438156
N-[2-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 114442437
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-5-(cyclooctylamino)-2-propylpyridazin-3-one
CID 114432224
4-bromo-2-butyl-5-(pyrrolidin-3-ylmethylamino)pyridazin-3-one
CID 114446545
4-bromo-2-ethyl-5-(2-pyrrolidin-3-ylethylamino)pyridazin-3-one
CID 114445059
4-bromo-5-(morpholin-3-ylmethylamino)-2-propylpyridazin-3-one
CID 103549434
4-bromo-2-butyl-5-(3-cyclopropylpropylamino)pyridazin-3-one
CID 114443400
4-bromo-5-[(3-methylcyclopentyl)methylamino]-2-propylpyridazin-3-one
CID 107414035
4-bromo-2-(2-methoxyethyl)-5-(2-pyrrolidin-2-ylethylamino)pyridazin-3-one
CID 114794546

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one (CID 114445240) is 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCCOC2CCNCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one?
The InChIKey is FNDZPFKDEBZBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23BrN4O2/c1-2-8-19-14(20)13(15)12(10-18-19)17-7-9-21-11-3-5-16-6-4-11/h10-11,16-17H,2-9H2,1H3.
What are the key properties of 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one?
4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one has a molecular weight of 359.27 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-piperidin-4-yloxyethylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114445240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).