methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

C10H13N3O2 — CID 16876478

IUPACmethyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C10H13N3O2/c1-15-10(14)8-4-5-9(12-11-8)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3
InChIKeyOEBNJAZLJKAVTJ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.86
Rot. Bonds2

About methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate

methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate (PubChem CID 16876478) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate
PubChem CID16876478
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Namemethyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC2)nn1
InChIInChI=1S/C10H13N3O2/c1-15-10(14)8-4-5-9(12-11-8)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3
InChIKeyOEBNJAZLJKAVTJ-UHFFFAOYSA-N
XLogP0.86
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate?
The IUPAC name of methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate (CID 16876478) is methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate?
The canonical SMILES for methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate is COC(=O)c1ccc(N2CCCC2)nn1.
What is the InChIKey of methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate?
The InChIKey is OEBNJAZLJKAVTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-15-10(14)8-4-5-9(12-11-8)13-6-2-3-7-13/h4-5H,2-3,6-7H2,1H3.
What are the key properties of methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate?
methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-pyrrolidin-1-ylpyridazine-3-carboxylate is sourced from PubChem (CID 16876478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).