methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate

C13H19N3O2 — CID 79363165

IUPACmethyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2C(C)(C)C2(C)C)nn1
InChIInChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)14-9-7-6-8(15-16-9)10(17)18-5/h6-7,11H,1-5H3,(H,14,16)
InChIKeyVXKMZDMIITUOKA-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.11
Rot. Bonds3

About methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate

methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate (PubChem CID 79363165) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
PubChem CID79363165
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NC2C(C)(C)C2(C)C)nn1
InChIInChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)14-9-7-6-8(15-16-9)10(17)18-5/h6-7,11H,1-5H3,(H,14,16)
InChIKeyVXKMZDMIITUOKA-UHFFFAOYSA-N
XLogP2.11
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-[(2,2,3,3-tetramethylcyclopropyl)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-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-[(3,3-dimethylcyclopentyl)amino]pyridazine-3-carboxylate
CID 115881025
methyl 6-[[(1R,2R)-2-aminocyclohexyl]amino]pyridazine-3-carboxylate
CID 93454058
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyrazine-2-carboxylate
CID 79362831
methyl 6-[[2-(hydroxymethyl)cyclohexyl]amino]pyridazine-3-carboxylate
CID 106362330
methyl 5-amino-6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridine-2-carboxylate
CID 114406962
methyl 6-[(1,1-dioxothian-4-yl)amino]pyridazine-3-carboxylate
CID 60791668
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
methyl 6-(thiolan-3-ylamino)pyridazine-3-carboxylate
CID 103704261
methyl 6-[(1-methylcyclopentyl)methylamino]pyridazine-3-carboxylate
CID 63823251
methyl 6-(2,3-dihydro-1-benzofuran-3-ylamino)pyridazine-3-carboxylate
CID 62064686
methyl 6-[[(1R)-2,3-dihydro-1H-inden-1-yl]amino]pyridazine-3-carboxylate
CID 95324954

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate (CID 79363165) is methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NC2C(C)(C)C2(C)C)nn1.
What is the InChIKey of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate?
The InChIKey is VXKMZDMIITUOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-12(2)11(13(12,3)4)14-9-7-6-8(15-16-9)10(17)18-5/h6-7,11H,1-5H3,(H,14,16).
What are the key properties of methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate?
methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2,2,3,3-tetramethylcyclopropyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 79363165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).