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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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).