4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one

C10H15BrFN3O3 — CID 143090952

IUPAC4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCCOCCN(F)c1cnn(CCO)c(=O)c1Br
InChIInChI=1S/C10H15BrFN3O3/c1-2-18-6-4-14(12)8-7-13-15(3-5-16)10(17)9(8)11/h7,16H,2-6H2,1H3
InChIKeyVYHBQNMWKUUBTN-UHFFFAOYSA-N
MW324.15 g/mol
LogP0.73
Rot. Bonds7

About 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one

4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 143090952) has the molecular formula C10H15BrFN3O3 and a molecular weight of 324.15 g/mol. Its IUPAC name is 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID143090952
Molecular FormulaC10H15BrFN3O3
Molecular Weight324.15 g/mol
Exact Mass323.03
IUPAC Name4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCCOCCN(F)c1cnn(CCO)c(=O)c1Br
InChIInChI=1S/C10H15BrFN3O3/c1-2-18-6-4-14(12)8-7-13-15(3-5-16)10(17)9(8)11/h7,16H,2-6H2,1H3
InChIKeyVYHBQNMWKUUBTN-UHFFFAOYSA-N
XLogP0.73
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-Bromo-5-[2-methoxyethyl(methyl)amino]-2-methylpyridazin-3-one
CID 56789092
4-Bromo-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 105913101
4-Bromo-2-(2-hydroxyethyl)-5-[2-(2,2,2-trifluoroethoxy)ethylamino]pyridazin-3-one
CID 114438157
4-Bromo-2-(2-hydroxyethyl)-5-morpholin-4-ylpyridazin-3-one
CID 60031419
4-Bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one;ethane
CID 143090951
4-Bromo-2-methyl-5-morpholin-4-ylpyridazin-3-one
CID 14176298
4-Bromo-2-ethyl-5-morpholin-4-ylpyridazin-3-one
CID 19245617
4-Bromo-5-[ethyl(2-hydroxyethyl)amino]-2-methylpyridazin-3-one
CID 56789108
4-Bromo-5-[2-[2-(dimethylamino)ethoxy]ethylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 105913540
4,5-Dibromo-2-(2-propoxyethyl)pyridazin-3-one
CID 106455792
4-Bromo-5-(1-hydroxypropan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113584462
4-Bromo-5-(2-ethoxyethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 113584510

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one (CID 143090952) is 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one is CCOCCN(F)c1cnn(CCO)c(=O)c1Br.
What is the InChIKey of 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is VYHBQNMWKUUBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrFN3O3/c1-2-18-6-4-14(12)8-7-13-15(3-5-16)10(17)9(8)11/h7,16H,2-6H2,1H3.
What are the key properties of 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one?
4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 324.15 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[2-ethoxyethyl(fluoro)amino]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 143090952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).