ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate

C10H11N3O3 — CID 143506968

IUPACethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c2cn[nH]c(=O)c12
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)8-7-6(5(2)12-8)4-11-13-9(7)14/h4,12H,3H2,1-2H3,(H,13,14)
InChIKeyXYNJJUODYMNLBX-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.74
Rot. Bonds2

About ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate

ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate (PubChem CID 143506968) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate
PubChem CID143506968
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Nameethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate
SMILESCCOC(=O)c1[nH]c(C)c2cn[nH]c(=O)c12
InChIInChI=1S/C10H11N3O3/c1-3-16-10(15)8-7-6(5(2)12-8)4-11-13-9(7)14/h4,12H,3H2,1-2H3,(H,13,14)
InChIKeyXYNJJUODYMNLBX-UHFFFAOYSA-N
XLogP0.74
TPSA87.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate?
The IUPAC name of ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate (CID 143506968) is ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate is CCOC(=O)c1[nH]c(C)c2cn[nH]c(=O)c12.
What is the InChIKey of ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate?
The InChIKey is XYNJJUODYMNLBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-16-10(15)8-7-6(5(2)12-8)4-11-13-9(7)14/h4,12H,3H2,1-2H3,(H,13,14).
What are the key properties of ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate?
ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate has a molecular weight of 221.22 g/mol, XLogP of 0.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-oxo-2,6-dihydropyrrolo[3,4-d]pyridazine-7-carboxylate is sourced from PubChem (CID 143506968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).