methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate

C11H11N3O2S — CID 55027512

IUPACmethyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccsc2)nn1
InChIInChI=1S/C11H11N3O2S/c1-16-11(15)9-2-3-10(14-13-9)12-6-8-4-5-17-7-8/h2-5,7H,6H2,1H3,(H,12,14)
InChIKeyBJQARNGBXVDSGQ-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.94
Rot. Bonds4

About methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate

methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate (PubChem CID 55027512) has the molecular formula C11H11N3O2S and a molecular weight of 249.30 g/mol. Its IUPAC name is methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate
PubChem CID55027512
Molecular FormulaC11H11N3O2S
Molecular Weight249.30 g/mol
Exact Mass249.06
IUPAC Namemethyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(NCc2ccsc2)nn1
InChIInChI=1S/C11H11N3O2S/c1-16-11(15)9-2-3-10(14-13-9)12-6-8-4-5-17-7-8/h2-5,7H,6H2,1H3,(H,12,14)
InChIKeyBJQARNGBXVDSGQ-UHFFFAOYSA-N
XLogP1.94
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[[4-(4-phenyl-1,3-thiazol-2-yl)phenyl]methylamino]pyridazine-3-carboxylate
CID 108776253
methyl 6-(1,3-benzodioxol-5-ylmethylamino)pyridazine-3-carboxylate
CID 60757560
methyl 6-[(2-methoxy-2-methylpropyl)amino]pyridazine-3-carboxylate
CID 113244113
methyl 6-(prop-2-enylamino)pyridazine-3-carboxylate
CID 60980581
methyl 6-(2,2-dimethoxyethylamino)pyridazine-3-carboxylate
CID 107390127
methyl 6-(butylamino)pyridazine-3-carboxylate
CID 24820196
5-methoxy-N-(thiophen-3-ylmethyl)pyridin-2-amine
CID 103802149
methyl 6-[2-(2-phenyl-1,3-thiazol-4-yl)ethylamino]pyridazine-3-carboxylate
CID 133348735
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-[2-(4-methyl-1,3-thiazol-2-yl)ethylamino]pyridazine-3-carboxylate
CID 55027363

Frequently Asked Questions

What is the IUPAC name of methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate (CID 55027512) is methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate is COC(=O)c1ccc(NCc2ccsc2)nn1.
What is the InChIKey of methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate?
The InChIKey is BJQARNGBXVDSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-16-11(15)9-2-3-10(14-13-9)12-6-8-4-5-17-7-8/h2-5,7H,6H2,1H3,(H,12,14).
What are the key properties of methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate?
methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate has a molecular weight of 249.30 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(thiophen-3-ylmethylamino)pyridazine-3-carboxylate is sourced from PubChem (CID 55027512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).