methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate

C10H13N3O2S — CID 75415769

IUPACmethyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCSCC2)nn1
InChIInChI=1S/C10H13N3O2S/c1-15-10(14)8-2-3-9(12-11-8)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3
InChIKeyBIDBIKKQLUYSQP-UHFFFAOYSA-N
MW239.30 g/mol
LogP0.82
Rot. Bonds2

About methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate

methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate (PubChem CID 75415769) has the molecular formula C10H13N3O2S and a molecular weight of 239.30 g/mol. Its IUPAC name is methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
PubChem CID75415769
Molecular FormulaC10H13N3O2S
Molecular Weight239.30 g/mol
Exact Mass239.07
IUPAC Namemethyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCSCC2)nn1
InChIInChI=1S/C10H13N3O2S/c1-15-10(14)8-2-3-9(12-11-8)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3
InChIKeyBIDBIKKQLUYSQP-UHFFFAOYSA-N
XLogP0.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-[4-(4-methoxy-6-methylpyrimidin-2-yl)piperazin-1-yl]pyridazine-3-carboxylate
CID 167935467
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
methyl 6-(2-azaspiro[4.5]decan-2-yl)pyridazine-3-carboxylate
CID 75374215
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
4-(6-methylpyridazin-3-yl)thiomorpholine
CID 143735554
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133397967
methyl 6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]pyridazine-3-carboxylate
CID 133342751
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339

Frequently Asked Questions

What is the IUPAC name of methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate (CID 75415769) is methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate is COC(=O)c1ccc(N2CCSCC2)nn1.
What is the InChIKey of methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate?
The InChIKey is BIDBIKKQLUYSQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2S/c1-15-10(14)8-2-3-9(12-11-8)13-4-6-16-7-5-13/h2-3H,4-7H2,1H3.
What are the key properties of methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate?
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate has a molecular weight of 239.30 g/mol, XLogP of 0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate is sourced from PubChem (CID 75415769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).