4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one

C12H20BrN3O2 — CID 114442219

IUPAC4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(C)OCC)c(Br)c1=O
InChIInChI=1S/C12H20BrN3O2/c1-4-6-16-12(17)11(13)10(8-15-16)14-7-9(3)18-5-2/h8-9,14H,4-7H2,1-3H3
InChIKeyMEBHTDCMWHSHFF-UHFFFAOYSA-N
MW318.22 g/mol
LogP2.25
Rot. Bonds7

About 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one

4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one (PubChem CID 114442219) has the molecular formula C12H20BrN3O2 and a molecular weight of 318.22 g/mol. Its IUPAC name is 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one.

Molecular Properties

Compound Name4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
PubChem CID114442219
Molecular FormulaC12H20BrN3O2
Molecular Weight318.22 g/mol
Exact Mass317.07
IUPAC Name4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one
SMILESCCCn1ncc(NCC(C)OCC)c(Br)c1=O
InChIInChI=1S/C12H20BrN3O2/c1-4-6-16-12(17)11(13)10(8-15-16)14-7-9(3)18-5-2/h8-9,14H,4-7H2,1-3H3
InChIKeyMEBHTDCMWHSHFF-UHFFFAOYSA-N
XLogP2.25
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-bromo-5-(2-ethoxypropylamino)-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

methyl 2-[5-bromo-4-(2-ethoxypropylamino)-6-oxopyridazin-1-yl]acetate
CID 114442217
4-bromo-5-(2-methylsulfanylpropylamino)-2-propylpyridazin-3-one
CID 114442028
4-bromo-5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-propylpyridazin-3-one
CID 114436154
4-bromo-2-propyl-5-[2-(propylamino)ethylamino]pyridazin-3-one
CID 114444606
4-bromo-2-(cyclopropylmethyl)-5-(2-methoxypropylamino)pyridazin-3-one
CID 102698914
5-[(2-amino-2-ethylbutyl)amino]-4-bromo-2-propylpyridazin-3-one
CID 114446777
4-bromo-2-(2-methoxyethyl)-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913926
4-chloro-5-(2-ethoxypropylamino)-2-(2-methylpropyl)pyridazin-3-one
CID 114442227
4-bromo-2-ethyl-5-[(3-methyl-2-propan-2-ylbutyl)amino]pyridazin-3-one
CID 102913854
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-5-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-2-propylpyridazin-3-one
CID 106435813

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one?
The IUPAC name of 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one (CID 114442219) is 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one.
What is the SMILES notation for 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one?
The canonical SMILES for 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one is CCCn1ncc(NCC(C)OCC)c(Br)c1=O.
What is the InChIKey of 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one?
The InChIKey is MEBHTDCMWHSHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrN3O2/c1-4-6-16-12(17)11(13)10(8-15-16)14-7-9(3)18-5-2/h8-9,14H,4-7H2,1-3H3.
What are the key properties of 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one?
4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one has a molecular weight of 318.22 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(2-ethoxypropylamino)-2-propylpyridazin-3-one is sourced from PubChem (CID 114442219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).