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

C12H18N4O2 — CID 55142196

IUPACmethyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCN(C)C2CC2)nn1
InChIInChI=1S/C12H18N4O2/c1-16(9-3-4-9)8-7-13-11-6-5-10(14-15-11)12(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyHKQGYXSBAKNDFV-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.77
Rot. Bonds6

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

methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate (PubChem CID 55142196) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
PubChem CID55142196
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Namemethyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCCN(C)C2CC2)nn1
InChIInChI=1S/C12H18N4O2/c1-16(9-3-4-9)8-7-13-11-6-5-10(14-15-11)12(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,15)
InChIKeyHKQGYXSBAKNDFV-UHFFFAOYSA-N
XLogP0.77
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-[2-[cyclopropyl(methyl)amino]ethyl]-6-(ethylamino)pyridazine-3-carboxamide
CID 55142201
methyl 6-[3-(diethylamino)propylamino]pyridazine-3-carboxylate
CID 60792604
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
methyl 6-(cyclohexylmethylamino)pyridazine-3-carboxylate
CID 54918952
methyl 6-(hexylamino)pyridazine-3-carboxylate
CID 60980718
methyl 6-[[3-(methylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 60968294
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-[[3-(tert-butylamino)-3-oxopropyl]amino]pyridazine-3-carboxylate
CID 115609127
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451
methyl 6-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pyridazine-3-carboxylate
CID 104925835
methyl 6-(3-methylsulfinylpropylamino)pyridazine-3-carboxylate
CID 115631415

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate (CID 55142196) is methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate is COC(=O)c1ccc(NCCN(C)C2CC2)nn1.
What is the InChIKey of methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate?
The InChIKey is HKQGYXSBAKNDFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-16(9-3-4-9)8-7-13-11-6-5-10(14-15-11)12(17)18-2/h5-6,9H,3-4,7-8H2,1-2H3,(H,13,15).
What are the key properties of methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate?
methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 0.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-[cyclopropyl(methyl)amino]ethylamino]pyridazine-3-carboxylate is sourced from PubChem (CID 55142196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).