ethyl 2-amino-2-pyridazin-3-ylacetate

C8H11N3O2 — CID 22062849

IUPACethyl 2-amino-2-pyridazin-3-ylacetate
SMILESCCOC(=O)C(N)c1cccnn1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)7(9)6-4-3-5-10-11-6/h3-5,7H,2,9H2,1H3
InChIKeyZPEGWHDYHZESPD-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.04
Rot. Bonds3

About ethyl 2-amino-2-pyridazin-3-ylacetate

ethyl 2-amino-2-pyridazin-3-ylacetate (PubChem CID 22062849) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2-amino-2-pyridazin-3-ylacetate.

Molecular Properties

Compound Nameethyl 2-amino-2-pyridazin-3-ylacetate
PubChem CID22062849
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-amino-2-pyridazin-3-ylacetate
SMILESCCOC(=O)C(N)c1cccnn1
InChIInChI=1S/C8H11N3O2/c1-2-13-8(12)7(9)6-4-3-5-10-11-6/h3-5,7H,2,9H2,1H3
InChIKeyZPEGWHDYHZESPD-UHFFFAOYSA-N
XLogP0.04
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-pyridazin-3-ylacetate?
The IUPAC name of ethyl 2-amino-2-pyridazin-3-ylacetate (CID 22062849) is ethyl 2-amino-2-pyridazin-3-ylacetate.
What is the SMILES notation for ethyl 2-amino-2-pyridazin-3-ylacetate?
The canonical SMILES for ethyl 2-amino-2-pyridazin-3-ylacetate is CCOC(=O)C(N)c1cccnn1.
What is the InChIKey of ethyl 2-amino-2-pyridazin-3-ylacetate?
The InChIKey is ZPEGWHDYHZESPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-2-13-8(12)7(9)6-4-3-5-10-11-6/h3-5,7H,2,9H2,1H3.
What are the key properties of ethyl 2-amino-2-pyridazin-3-ylacetate?
ethyl 2-amino-2-pyridazin-3-ylacetate has a molecular weight of 181.19 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-pyridazin-3-ylacetate is sourced from PubChem (CID 22062849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).