ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate

C12H18N4O3 — CID 42544148

IUPACethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)9-16-11(17)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyRVWYQADKYFRQJZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.78
Rot. Bonds4

About ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate

ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate (PubChem CID 42544148) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate
PubChem CID42544148
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Nameethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate
SMILESCCOC(=O)Cn1ncc(N2CCNCC2)cc1=O
InChIInChI=1S/C12H18N4O3/c1-2-19-12(18)9-16-11(17)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3
InChIKeyRVWYQADKYFRQJZ-UHFFFAOYSA-N
XLogP-0.78
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate?
The IUPAC name of ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate (CID 42544148) is ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate.
What is the SMILES notation for ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate?
The canonical SMILES for ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate is CCOC(=O)Cn1ncc(N2CCNCC2)cc1=O.
What is the InChIKey of ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate?
The InChIKey is RVWYQADKYFRQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-2-19-12(18)9-16-11(17)7-10(8-14-16)15-5-3-13-4-6-15/h7-8,13H,2-6,9H2,1H3.
What are the key properties of ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate?
ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate has a molecular weight of 266.30 g/mol, XLogP of -0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(6-oxo-4-piperazin-1-ylpyridazin-1-yl)acetate is sourced from PubChem (CID 42544148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).