methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate

C10H15N3O4 — CID 107390127

IUPACmethyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(OC)OC)nn1
InChIInChI=1S/C10H15N3O4/c1-15-9(16-2)6-11-8-5-4-7(12-13-8)10(14)17-3/h4-5,9H,6H2,1-3H3,(H,11,13)
InChIKeyXVAXQXVEJWRBDB-UHFFFAOYSA-N
MW241.25 g/mol
LogP0.29
Rot. Bonds6

About methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate

methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate (PubChem CID 107390127) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
PubChem CID107390127
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(OC)OC)nn1
InChIInChI=1S/C10H15N3O4/c1-15-9(16-2)6-11-8-5-4-7(12-13-8)10(14)17-3/h4-5,9H,6H2,1-3H3,(H,11,13)
InChIKeyXVAXQXVEJWRBDB-UHFFFAOYSA-N
XLogP0.29
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridazine-3-carboxylate
CID 60968158
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
methyl 6-[[(2R)-2-(3-fluorophenyl)-2-hydroxyethyl]amino]pyridazine-3-carboxylate
CID 95257213
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
CID 115586284
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate (CID 107390127) is methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NCC(OC)OC)nn1.
What is the InChIKey of methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate?
The InChIKey is XVAXQXVEJWRBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-15-9(16-2)6-11-8-5-4-7(12-13-8)10(14)17-3/h4-5,9H,6H2,1-3H3,(H,11,13).
What are the key properties of methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate?
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate has a molecular weight of 241.25 g/mol, XLogP of 0.29, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 107390127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).