methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate

C11H17N3O3 — CID 113244113

IUPACmethyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(C)(C)OC)nn1
InChIInChI=1S/C11H17N3O3/c1-11(2,17-4)7-12-9-6-5-8(13-14-9)10(15)16-3/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyGESRUXYFEQGZFC-UHFFFAOYSA-N
MW239.28 g/mol
LogP1.10
Rot. Bonds5

About methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate

methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate (PubChem CID 113244113) has the molecular formula C11H17N3O3 and a molecular weight of 239.28 g/mol. Its IUPAC name is methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
PubChem CID113244113
Molecular FormulaC11H17N3O3
Molecular Weight239.28 g/mol
Exact Mass239.13
IUPAC Namemethyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCC(C)(C)OC)nn1
InChIInChI=1S/C11H17N3O3/c1-11(2,17-4)7-12-9-6-5-8(13-14-9)10(15)16-3/h5-6H,7H2,1-4H3,(H,12,14)
InChIKeyGESRUXYFEQGZFC-UHFFFAOYSA-N
XLogP1.10
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
1-[[(6-methoxycarbonylpyridazin-3-yl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113312202
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-[(4-amino-2-methyl-4-oxobutan-2-yl)amino]pyridazine-3-carboxylate
CID 106097307
methyl 6-[(1-methylcyclopropyl)methylamino]pyridazine-3-carboxylate
CID 103724936
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
6-[(4-methoxy-2,2-dimethylbutyl)amino]-N-methylpyridazine-3-carboxamide
CID 104623971

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate (CID 113244113) is methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCC(C)(C)OC)nn1.
What is the InChIKey of methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate?
The InChIKey is GESRUXYFEQGZFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,17-4)7-12-9-6-5-8(13-14-9)10(15)16-3/h5-6H,7H2,1-4H3,(H,12,14).
What are the key properties of methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate?
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate has a molecular weight of 239.28 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 113244113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).