4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one

C11H11Br2N3O2S — CID 114434340

IUPAC4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Br)c(NCc2ccc(Br)s2)cnn1CCO
InChIInChI=1S/C11H11Br2N3O2S/c12-9-2-1-7(19-9)5-14-8-6-15-16(3-4-17)11(18)10(8)13/h1-2,6,14,17H,3-5H2
InChIKeyFQZAWWGAFJDSFC-UHFFFAOYSA-N
MW409.10 g/mol
LogP2.43
Rot. Bonds5

About 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one

4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114434340) has the molecular formula C11H11Br2N3O2S and a molecular weight of 409.10 g/mol. Its IUPAC name is 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114434340
Molecular FormulaC11H11Br2N3O2S
Molecular Weight409.10 g/mol
Exact Mass406.89
IUPAC Name4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
SMILESO=c1c(Br)c(NCc2ccc(Br)s2)cnn1CCO
InChIInChI=1S/C11H11Br2N3O2S/c12-9-2-1-7(19-9)5-14-8-6-15-16(3-4-17)11(18)10(8)13/h1-2,6,14,17H,3-5H2
InChIKeyFQZAWWGAFJDSFC-UHFFFAOYSA-N
XLogP2.43
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.10
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[5-bromo-4-[(5-bromothiophen-2-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114434336
5-(benzylamino)-4-bromo-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432062
4-bromo-5-[2-(5-bromothiophen-2-yl)ethylamino]-2-propylpyridazin-3-one
CID 106049014
4-bromo-5-[(2-chlorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432196
2-[4-[(5-bromothiophen-2-yl)methylamino]pyrazol-1-yl]ethanol
CID 115607977
4-bromo-2-(2-hydroxyethyl)-5-[(1-methylpyrazol-4-yl)methylamino]pyridazin-3-one
CID 114435163
4-bromo-2-ethyl-5-[(5-ethylthiophen-2-yl)methylamino]pyridazin-3-one
CID 106013419
4-bromo-5-[(3-fluorophenyl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114432816
4-bromo-2-ethyl-5-[(5-methylthiophen-2-yl)methylamino]pyridazin-3-one
CID 114436760
4-bromo-5-(but-3-enylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442007
4-bromo-2-(2-hydroxyethyl)-5-[2-(4-hydroxyphenyl)ethylamino]pyridazin-3-one
CID 114434954
3-[[5-bromo-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]-2,2-dimethylpropanamide
CID 106277890

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one (CID 114434340) is 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one is O=c1c(Br)c(NCc2ccc(Br)s2)cnn1CCO.
What is the InChIKey of 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is FQZAWWGAFJDSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Br2N3O2S/c12-9-2-1-7(19-9)5-14-8-6-15-16(3-4-17)11(18)10(8)13/h1-2,6,14,17H,3-5H2.
What are the key properties of 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one?
4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 409.10 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(5-bromothiophen-2-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114434340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).