4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one

C12H19BrN4OS — CID 106325882

IUPAC4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
SMILESCCn1ncc(NCCN2CCSCC2)c(Br)c1=O
InChIInChI=1S/C12H19BrN4OS/c1-2-17-12(18)11(13)10(9-15-17)14-3-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3
InChIKeyBKPKKYYLVQINOY-UHFFFAOYSA-N
MW347.28 g/mol
LogP1.49
Rot. Bonds5

About 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one

4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one (PubChem CID 106325882) has the molecular formula C12H19BrN4OS and a molecular weight of 347.28 g/mol. Its IUPAC name is 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
PubChem CID106325882
Molecular FormulaC12H19BrN4OS
Molecular Weight347.28 g/mol
Exact Mass346.05
IUPAC Name4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
SMILESCCn1ncc(NCCN2CCSCC2)c(Br)c1=O
InChIInChI=1S/C12H19BrN4OS/c1-2-17-12(18)11(13)10(9-15-17)14-3-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3
InChIKeyBKPKKYYLVQINOY-UHFFFAOYSA-N
XLogP1.49
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-2-(2-hydroxyethyl)-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325980
4-bromo-2-(cyclopropylmethyl)-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325934
4-bromo-2-propan-2-yl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106326018
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-2-ethyl-5-[2-(ethylamino)ethylamino]pyridazin-3-one
CID 114444572
4-bromo-2-ethyl-5-(3-methylsulfinylpropylamino)pyridazin-3-one
CID 114442599
2-[(5-bromo-1-ethyl-6-oxopyridazin-4-yl)amino]ethylurea
CID 114441212
4-bromo-5-(2-piperidin-1-ylethylamino)-2-prop-2-ynylpyridazin-3-one
CID 114436054
4-bromo-2-(2-methylpropyl)-5-(2-piperazin-1-ylethylamino)pyridazin-3-one
CID 114444002
5-[2-(azepan-1-yl)ethylamino]-4-bromo-2-methylpyridazin-3-one
CID 115624040
4-bromo-2-ethyl-5-[3-(2-methylpiperidin-1-yl)propylamino]pyridazin-3-one
CID 114432269
5-[2-(azepan-1-yl)ethylamino]-4-chloro-2-ethylpyridazin-3-one
CID 114434960

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one?
The IUPAC name of 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one (CID 106325882) is 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one.
What is the SMILES notation for 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one?
The canonical SMILES for 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one is CCn1ncc(NCCN2CCSCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one?
The InChIKey is BKPKKYYLVQINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4OS/c1-2-17-12(18)11(13)10(9-15-17)14-3-4-16-5-7-19-8-6-16/h9,14H,2-8H2,1H3.
What are the key properties of 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one?
4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one has a molecular weight of 347.28 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one is sourced from PubChem (CID 106325882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).