methyl 6-(dimethylamino)pyridazine-3-carboxylate

C8H11N3O2 — CID 121206143

IUPACmethyl 6-(dimethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C)nn1
InChIInChI=1S/C8H11N3O2/c1-11(2)7-5-4-6(9-10-7)8(12)13-3/h4-5H,1-3H3
InChIKeyIIGSKBIEQQEIHI-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.33
Rot. Bonds2

About methyl 6-(dimethylamino)pyridazine-3-carboxylate

methyl 6-(dimethylamino)pyridazine-3-carboxylate (PubChem CID 121206143) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 6-(dimethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(dimethylamino)pyridazine-3-carboxylate
PubChem CID121206143
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemethyl 6-(dimethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N(C)C)nn1
InChIInChI=1S/C8H11N3O2/c1-11(2)7-5-4-6(9-10-7)8(12)13-3/h4-5H,1-3H3
InChIKeyIIGSKBIEQQEIHI-UHFFFAOYSA-N
XLogP0.33
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxylate
CID 75377047
6-(dimethylamino)pyridazine-3-carboxylic acid;hydrochloride
CID 91623623
methyl 6-[(2-ethoxy-2-oxoethyl)-methylamino]pyridazine-3-carboxylate
CID 62006338
3-[(6-methoxycarbonylpyridazin-3-yl)-methylamino]-2-methylpropanoic acid
CID 55007390
methyl 6-[1-(4-fluorophenyl)ethyl-methylamino]pyridazine-3-carboxylate
CID 133350668
methyl 6-[ethyl-[(1-methylpyrazol-4-yl)methyl]amino]pyridazine-3-carboxylate
CID 100690645
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
2-[6-(dimethylamino)pyridazine-3-carbonyl]-2-ethylbutanoic acid
CID 57157648
methyl 6-[[2-[ethyl(methyl)amino]-2-oxoethyl]amino]pyridazine-3-carboxylate
CID 104925835
methyl 6-[[1-[(dimethylamino)methyl]cyclopentyl]methylamino]pyridazine-3-carboxylate
CID 133491640
methyl 6-(2-trimethylsilylethyl)pyridazine-3-carboxylate
CID 171108814
methyl 6-(cyclopropylamino)pyridazine-3-carboxylate
CID 60792451

Frequently Asked Questions

What is the IUPAC name of methyl 6-(dimethylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(dimethylamino)pyridazine-3-carboxylate (CID 121206143) is methyl 6-(dimethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(dimethylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(dimethylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(N(C)C)nn1.
What is the InChIKey of methyl 6-(dimethylamino)pyridazine-3-carboxylate?
The InChIKey is IIGSKBIEQQEIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-11(2)7-5-4-6(9-10-7)8(12)13-3/h4-5H,1-3H3.
What are the key properties of methyl 6-(dimethylamino)pyridazine-3-carboxylate?
methyl 6-(dimethylamino)pyridazine-3-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.33, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(dimethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 121206143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).