methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate

C13H17N3O5 — CID 79812898

IUPACmethyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(=O)n(C)n2)CCO1
InChIInChI=1S/C13H17N3O5/c1-15-11(17)4-3-10(14-15)13(19)16-5-6-21-9(8-16)7-12(18)20-2/h3-4,9H,5-8H2,1-2H3
InChIKeyZXPBXPXAKILRLX-UHFFFAOYSA-N
MW295.30 g/mol
LogP-0.82
Rot. Bonds3

About methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate

methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate (PubChem CID 79812898) has the molecular formula C13H17N3O5 and a molecular weight of 295.30 g/mol. Its IUPAC name is methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate
PubChem CID79812898
Molecular FormulaC13H17N3O5
Molecular Weight295.30 g/mol
Exact Mass295.12
IUPAC Namemethyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(C(=O)c2ccc(=O)n(C)n2)CCO1
InChIInChI=1S/C13H17N3O5/c1-15-11(17)4-3-10(14-15)13(19)16-5-6-21-9(8-16)7-12(18)20-2/h3-4,9H,5-8H2,1-2H3
InChIKeyZXPBXPXAKILRLX-UHFFFAOYSA-N
XLogP-0.82
TPSA90.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate (CID 79812898) is methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate is COC(=O)CC1CN(C(=O)c2ccc(=O)n(C)n2)CCO1.
What is the InChIKey of methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate?
The InChIKey is ZXPBXPXAKILRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O5/c1-15-11(17)4-3-10(14-15)13(19)16-5-6-21-9(8-16)7-12(18)20-2/h3-4,9H,5-8H2,1-2H3.
What are the key properties of methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate?
methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate has a molecular weight of 295.30 g/mol, XLogP of -0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(1-methyl-6-oxopyridazine-3-carbonyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79812898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).