methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate

C8H10BrN3O3 — CID 114431666

IUPACmethyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate
SMILESCNc1cnn(CC(=O)OC)c(=O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-10-5-3-11-12(4-6(13)15-2)8(14)7(5)9/h3,10H,4H2,1-2H3
InChIKeyQZROTJIYRFQFGE-UHFFFAOYSA-N
MW276.09 g/mol
LogP0.22
Rot. Bonds3

About methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate

methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate (PubChem CID 114431666) has the molecular formula C8H10BrN3O3 and a molecular weight of 276.09 g/mol. Its IUPAC name is methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate
PubChem CID114431666
Molecular FormulaC8H10BrN3O3
Molecular Weight276.09 g/mol
Exact Mass274.99
IUPAC Namemethyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate
SMILESCNc1cnn(CC(=O)OC)c(=O)c1Br
InChIInChI=1S/C8H10BrN3O3/c1-10-5-3-11-12(4-6(13)15-2)8(14)7(5)9/h3,10H,4H2,1-2H3
InChIKeyQZROTJIYRFQFGE-UHFFFAOYSA-N
XLogP0.22
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.09
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate 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-[4-[(1-amino-1-oxopropan-2-yl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114433480
methyl 2-[4-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 114434936
methyl 2-[5-bromo-4-(2-methylbut-3-yn-2-ylamino)-6-oxopyridazin-1-yl]acetate
CID 114438411
methyl 2-[5-bromo-6-oxo-4-(2,3,3-trimethylbutylamino)pyridazin-1-yl]acetate
CID 114441227
methyl 2-[5-bromo-4-[2-(diethylamino)ethylamino]-6-oxopyridazin-1-yl]acetate
CID 114431857
methyl 2-[5-bromo-4-(1-cyclopropylethylamino)-6-oxopyridazin-1-yl]acetate
CID 114433328
methyl 2-[5-bromo-4-[(2-hydroxy-2-methylpentyl)amino]-6-oxopyridazin-1-yl]acetate
CID 106294658
methyl 2-[4-[(3-amino-2-hydroxy-3-oxopropyl)amino]-5-bromo-6-oxopyridazin-1-yl]acetate
CID 106177752
methyl 2-[5-bromo-6-oxo-4-[[2-oxo-2-(propylamino)ethyl]amino]pyridazin-1-yl]acetate
CID 114433633
methyl 2-[5-bromo-4-[2-(2-hydroxyethoxy)ethylamino]-6-oxopyridazin-1-yl]acetate
CID 114437099
methyl 2-[5-bromo-4-(2-ethoxypropylamino)-6-oxopyridazin-1-yl]acetate
CID 114442217
methyl 2-[5-bromo-4-[(1-methylpyrazol-4-yl)methylamino]-6-oxopyridazin-1-yl]acetate
CID 114435159

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate?
The IUPAC name of methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate (CID 114431666) is methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate?
The canonical SMILES for methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate is CNc1cnn(CC(=O)OC)c(=O)c1Br.
What is the InChIKey of methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate?
The InChIKey is QZROTJIYRFQFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN3O3/c1-10-5-3-11-12(4-6(13)15-2)8(14)7(5)9/h3,10H,4H2,1-2H3.
What are the key properties of methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate?
methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate has a molecular weight of 276.09 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-bromo-4-(methylamino)-6-oxopyridazin-1-yl]acetate is sourced from PubChem (CID 114431666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).