5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one

C10H14BrN3O2 — CID 106405015

IUPAC5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one
SMILESC=CCCOCCNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-2-3-5-16-6-4-12-8-7-13-14-10(15)9(8)11/h2,7H,1,3-6H2,(H2,12,14,15)
InChIKeyIWCGLURSESCDPX-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.54
Rot. Bonds7

About 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one

5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one (PubChem CID 106405015) has the molecular formula C10H14BrN3O2 and a molecular weight of 288.14 g/mol. Its IUPAC name is 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one
PubChem CID106405015
Molecular FormulaC10H14BrN3O2
Molecular Weight288.14 g/mol
Exact Mass287.03
IUPAC Name5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one
SMILESC=CCCOCCNc1cn[nH]c(=O)c1Br
InChIInChI=1S/C10H14BrN3O2/c1-2-3-5-16-6-4-12-8-7-13-14-10(15)9(8)11/h2,7H,1,3-6H2,(H2,12,14,15)
InChIKeyIWCGLURSESCDPX-UHFFFAOYSA-N
XLogP1.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-4-(5-hydroxypentylamino)-1H-pyridazin-6-one
CID 107318148
5-bromo-N-(2-but-3-enoxyethyl)pyrimidin-2-amine
CID 103853765
N-[2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]ethyl]methanesulfonamide
CID 114385927
5-bromo-4-(2-imidazol-1-ylethylamino)-1H-pyridazin-6-one
CID 115576990
methyl 2-[(5-bromo-6-oxo-1H-pyridazin-4-yl)amino]acetate
CID 114385913
5-bromo-4-(2,3-dimethylbutylamino)-1H-pyridazin-6-one
CID 114386132
2-bromo-6-(2-but-3-enoxyethylamino)benzoic acid
CID 114185326
5-bromo-4-(3-pyrazol-1-ylpropylamino)-1H-pyridazin-6-one
CID 115579247
5-bromo-4-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-1H-pyridazin-6-one
CID 106418541
N-(2-but-3-enoxyethyl)-5-iodopyrimidin-2-amine
CID 104844233
5-bromo-N-(2-but-3-enoxyethyl)-2-nitroaniline
CID 103853707
3-bromo-N-(2-but-3-enoxyethyl)-5-chloropyridin-2-amine
CID 107143640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one?
The IUPAC name of 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one (CID 106405015) is 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one.
What is the SMILES notation for 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one?
The canonical SMILES for 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one is C=CCCOCCNc1cn[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one?
The InChIKey is IWCGLURSESCDPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2/c1-2-3-5-16-6-4-12-8-7-13-14-10(15)9(8)11/h2,7H,1,3-6H2,(H2,12,14,15).
What are the key properties of 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one?
5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one has a molecular weight of 288.14 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-but-3-enoxyethylamino)-1H-pyridazin-6-one is sourced from PubChem (CID 106405015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).