4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one

C13H16BrN3O2S — CID 106435813

IUPAC4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(O)c2ccsc2)c(Br)c1=O
InChIInChI=1S/C13H16BrN3O2S/c1-2-4-17-13(19)12(14)10(6-16-17)15-7-11(18)9-3-5-20-8-9/h3,5-6,8,11,15,18H,2,4,7H2,1H3
InChIKeyABLSPDNSHINAHA-UHFFFAOYSA-N
MW358.26 g/mol
LogP2.62
Rot. Bonds6

About 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one

4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one (PubChem CID 106435813) has the molecular formula C13H16BrN3O2S and a molecular weight of 358.26 g/mol. Its IUPAC name is 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one
PubChem CID106435813
Molecular FormulaC13H16BrN3O2S
Molecular Weight358.26 g/mol
Exact Mass357.01
IUPAC Name4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(O)c2ccsc2)c(Br)c1=O
InChIInChI=1S/C13H16BrN3O2S/c1-2-4-17-13(19)12(14)10(6-16-17)15-7-11(18)9-3-5-20-8-9/h3,5-6,8,11,15,18H,2,4,7H2,1H3
InChIKeyABLSPDNSHINAHA-UHFFFAOYSA-N
XLogP2.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.26
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
CID 114442219
4-bromo-5-[2-(4-hydroxyphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114434953
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
3-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-1-propylpyrazin-2-one
CID 106435749
4-bromo-5-[(3-ethylthiophen-2-yl)methylamino]-2-propylpyridazin-3-one
CID 114440240
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177
3-[(5-bromo-6-oxo-1-propylpyridazin-4-yl)amino]-N,N-dimethylpropanamide
CID 114434105
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
2-[(2-propylpyrazol-3-yl)methylamino]-1-thiophen-3-ylethanol
CID 114188500
4-bromo-2-butyl-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440323
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
4-bromo-2-methyl-5-(1-thiophen-3-ylethylamino)pyridazin-3-one
CID 114437422

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one (CID 106435813) is 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one is CCCn1ncc(NCC(O)c2ccsc2)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one?
The InChIKey is ABLSPDNSHINAHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2S/c1-2-4-17-13(19)12(14)10(6-16-17)15-7-11(18)9-3-5-20-8-9/h3,5-6,8,11,15,18H,2,4,7H2,1H3.
What are the key properties of 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one?
4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one has a molecular weight of 358.26 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one is sourced from PubChem (CID 106435813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).