4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one

C13H19BrN4O2 — CID 114432525

IUPAC4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(NCCN2CCOCC2)c(Br)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-2-4-18-13(19)12(14)11(10-16-18)15-3-5-17-6-8-20-9-7-17/h2,10,15H,1,3-9H2
InChIKeyGEGQGZLZYXGHGZ-UHFFFAOYSA-N
MW343.23 g/mol
LogP0.94
Rot. Bonds6

About 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one

4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one (PubChem CID 114432525) has the molecular formula C13H19BrN4O2 and a molecular weight of 343.23 g/mol. Its IUPAC name is 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one
PubChem CID114432525
Molecular FormulaC13H19BrN4O2
Molecular Weight343.23 g/mol
Exact Mass342.07
IUPAC Name4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one
SMILESC=CCn1ncc(NCCN2CCOCC2)c(Br)c1=O
InChIInChI=1S/C13H19BrN4O2/c1-2-4-18-13(19)12(14)11(10-16-18)15-3-5-17-6-8-20-9-7-17/h2,10,15H,1,3-9H2
InChIKeyGEGQGZLZYXGHGZ-UHFFFAOYSA-N
XLogP0.94
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-(but-3-enylamino)-2-prop-2-enylpyridazin-3-one
CID 114441999
4-bromo-5-(2-methylsulfanylethylamino)-2-prop-2-enylpyridazin-3-one
CID 114438269
4-bromo-5-(3-morpholin-4-ylpropylamino)-2-prop-2-ynylpyridazin-3-one
CID 114432939
4-bromo-5-[2-(ethylamino)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114444573
4-bromo-5-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]-2-prop-2-enylpyridazin-3-one
CID 114441691
4-bromo-5-[2-(propan-2-ylamino)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114444619
4-bromo-5-(3-hydroxybutylamino)-2-prop-2-enylpyridazin-3-one
CID 114439102
4-bromo-5-(2-piperidin-1-ylethylamino)-2-propylpyridazin-3-one
CID 114436057
4-bromo-5-[2-(4-chlorophenyl)ethylamino]-2-prop-2-enylpyridazin-3-one
CID 114435198
4-bromo-2-prop-2-enyl-5-[3-(triazol-1-yl)propylamino]pyridazin-3-one
CID 114441756
5-(2-aminopropylamino)-4-bromo-2-prop-2-enylpyridazin-3-one
CID 114445145
4-bromo-2-ethyl-5-(2-thiomorpholin-4-ylethylamino)pyridazin-3-one
CID 106325882

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one (CID 114432525) is 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one is C=CCn1ncc(NCCN2CCOCC2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one?
The InChIKey is GEGQGZLZYXGHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O2/c1-2-4-18-13(19)12(14)11(10-16-18)15-3-5-17-6-8-20-9-7-17/h2,10,15H,1,3-9H2.
What are the key properties of 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one?
4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one has a molecular weight of 343.23 g/mol, XLogP of 0.94, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-morpholin-4-ylethylamino)-2-prop-2-enylpyridazin-3-one is sourced from PubChem (CID 114432525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).