methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate

C12H17N3O4 — CID 102935159

IUPACmethyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C)OC(CO)C2)nn1
InChIInChI=1S/C12H17N3O4/c1-8-5-15(6-9(7-16)19-8)11-4-3-10(13-14-11)12(17)18-2/h3-4,8-9,16H,5-7H2,1-2H3
InChIKeySIBBQVAZRIZAOZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.15
Rot. Bonds3

About methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate

methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate (PubChem CID 102935159) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate
PubChem CID102935159
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Namemethyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CC(C)OC(CO)C2)nn1
InChIInChI=1S/C12H17N3O4/c1-8-5-15(6-9(7-16)19-8)11-4-3-10(13-14-11)12(17)18-2/h3-4,8-9,16H,5-7H2,1-2H3
InChIKeySIBBQVAZRIZAOZ-UHFFFAOYSA-N
XLogP-0.15
TPSA84.78 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
5-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridine-2-carboxylic acid
CID 102933160
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
methyl 6-(2,6-dimethylmorpholin-4-yl)pyridine-2-carboxylate
CID 123942155
(6-methyl-4-quinolin-2-ylmorpholin-2-yl)methanol
CID 102935336
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
[6-methyl-4-(tetrazolo[1,5-b]pyridazin-6-yl)morpholin-2-yl]methanol
CID 102935234
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]pyrimidine-4-carboxylate
CID 129497950
ethyl 6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129498668

Frequently Asked Questions

What is the IUPAC name of methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate (CID 102935159) is methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CC(C)OC(CO)C2)nn1.
What is the InChIKey of methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate?
The InChIKey is SIBBQVAZRIZAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-8-5-15(6-9(7-16)19-8)11-4-3-10(13-14-11)12(17)18-2/h3-4,8-9,16H,5-7H2,1-2H3.
What are the key properties of methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate?
methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate has a molecular weight of 267.28 g/mol, XLogP of -0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 102935159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).