methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate

C12H15N3O5 — CID 78926657

IUPACmethyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)CCO1
InChIInChI=1S/C12H15N3O5/c1-14-10(16)4-3-8(13-14)11(17)15-5-6-20-9(7-15)12(18)19-2/h3-4,9H,5-7H2,1-2H3
InChIKeyQVFNTHJYYJYRFZ-UHFFFAOYSA-N
MW281.27 g/mol
LogP-1.21
Rot. Bonds2

About methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate

methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate (PubChem CID 78926657) has the molecular formula C12H15N3O5 and a molecular weight of 281.27 g/mol. Its IUPAC name is methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
PubChem CID78926657
Molecular FormulaC12H15N3O5
Molecular Weight281.27 g/mol
Exact Mass281.10
IUPAC Namemethyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate
SMILESCOC(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)CCO1
InChIInChI=1S/C12H15N3O5/c1-14-10(16)4-3-8(13-14)11(17)15-5-6-20-9(7-15)12(18)19-2/h3-4,9H,5-7H2,1-2H3
InChIKeyQVFNTHJYYJYRFZ-UHFFFAOYSA-N
XLogP-1.21
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 5-1.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 4-(6-oxopyran-3-carbonyl)morpholine-2-carboxylate
CID 113330652
methyl 4-(2-methylbenzoyl)morpholine-2-carboxylate
CID 78926743
methyl 4-(5-carbamoyl-1-phenylpyrazole-3-carbonyl)morpholine-2-carboxylate
CID 119129371
methyl 4-(2,3-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926701
methyl 4-(6-methyl-2-oxo-1H-pyridine-3-carbonyl)morpholine-2-carboxylate
CID 115610744
6-(4-hydroxypiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 43391811
methyl 4-hydroxy-1-(1-methyl-6-oxopyridazine-3-carbonyl)pyrrolidine-2-carboxylate
CID 115971005
methyl 4-(3-methylbenzoyl)morpholine-2-carboxylate
CID 78926771
methyl 4-(2,5-dimethylbenzoyl)morpholine-2-carboxylate
CID 78926875
methyl 4-(5-methylpyridine-3-carbonyl)morpholine-2-carboxylate
CID 79035757
6-[(2R)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014405
6-[(2S)-2-ethylmorpholine-4-carbonyl]-2-(2-methoxyethyl)pyridazin-3-one
CID 94014406

Frequently Asked Questions

What is the IUPAC name of methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate?
The IUPAC name of methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate (CID 78926657) is methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate.
What is the SMILES notation for methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate?
The canonical SMILES for methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate is COC(=O)C1CN(C(=O)c2ccc(=O)n(C)n2)CCO1.
What is the InChIKey of methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate?
The InChIKey is QVFNTHJYYJYRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O5/c1-14-10(16)4-3-8(13-14)11(17)15-5-6-20-9(7-15)12(18)19-2/h3-4,9H,5-7H2,1-2H3.
What are the key properties of methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate?
methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate has a molecular weight of 281.27 g/mol, XLogP of -1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholine-2-carboxylate is sourced from PubChem (CID 78926657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).