methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate

C12H19N3O3 — CID 115586284

IUPACmethyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCOCC(C)C)nn1
InChIInChI=1S/C12H19N3O3/c1-9(2)8-18-7-6-13-11-5-4-10(14-15-11)12(16)17-3/h4-5,9H,6-8H2,1-3H3,(H,13,15)
InChIKeyGNLRBFNVIYZXNN-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.35
Rot. Bonds7

About methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate

methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate (PubChem CID 115586284) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
PubChem CID115586284
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCOCC(C)C)nn1
InChIInChI=1S/C12H19N3O3/c1-9(2)8-18-7-6-13-11-5-4-10(14-15-11)12(16)17-3/h4-5,9H,6-8H2,1-3H3,(H,13,15)
InChIKeyGNLRBFNVIYZXNN-UHFFFAOYSA-N
XLogP1.35
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
1-[6-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethylamino]pyridazin-3-yl]-2-methylpropan-1-one
CID 177358408
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate (CID 115586284) is methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCCOCC(C)C)nn1.
What is the InChIKey of methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate?
The InChIKey is GNLRBFNVIYZXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-9(2)8-18-7-6-13-11-5-4-10(14-15-11)12(16)17-3/h4-5,9H,6-8H2,1-3H3,(H,13,15).
What are the key properties of methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate?
methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate has a molecular weight of 253.30 g/mol, XLogP of 1.35, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(2-methylpropoxy)ethylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 115586284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).