methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate

C11H16N4O3 — CID 106097307

IUPACmethyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)(C)CC(N)=O)nn1
InChIInChI=1S/C11H16N4O3/c1-11(2,6-8(12)16)13-9-5-4-7(14-15-9)10(17)18-3/h4-5H,6H2,1-3H3,(H2,12,16)(H,13,15)
InChIKeyAMPHXSYIEBNEOY-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.33
Rot. Bonds5

About methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate

methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate (PubChem CID 106097307) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
PubChem CID106097307
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Namemethyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC(C)(C)CC(N)=O)nn1
InChIInChI=1S/C11H16N4O3/c1-11(2,6-8(12)16)13-9-5-4-7(14-15-9)10(17)18-3/h4-5H,6H2,1-3H3,(H2,12,16)(H,13,15)
InChIKeyAMPHXSYIEBNEOY-UHFFFAOYSA-N
XLogP0.33
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate 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 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]-2-methylpyridine-3-carboxylate
CID 106097210
2-ethyl-2-[(6-methoxycarbonylpyridazin-3-yl)amino]butanoic acid
CID 79807108
methyl 6-[(1-methoxy-2-methyl-1-oxopentan-2-yl)amino]pyridazine-3-carboxylate
CID 62006057
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate (CID 106097307) is methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC(C)(C)CC(N)=O)nn1.
What is the InChIKey of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate?
The InChIKey is AMPHXSYIEBNEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-11(2,6-8(12)16)13-9-5-4-7(14-15-9)10(17)18-3/h4-5H,6H2,1-3H3,(H2,12,16)(H,13,15).
What are the key properties of methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate?
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate has a molecular weight of 252.27 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 106097307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).