ethyl 3-piperazin-1-ylpyridazine-4-carboxylate

C11H16N4O2 — CID 117100428

IUPACethyl 3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1ccnnc1N1CCNCC1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)9-3-4-13-14-10(9)15-7-5-12-6-8-15/h3-4,12H,2,5-8H2,1H3
InChIKeyZPUZLFSELYHFCM-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.06
Rot. Bonds3

About ethyl 3-piperazin-1-ylpyridazine-4-carboxylate

ethyl 3-piperazin-1-ylpyridazine-4-carboxylate (PubChem CID 117100428) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethyl 3-piperazin-1-ylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-piperazin-1-ylpyridazine-4-carboxylate
PubChem CID117100428
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Nameethyl 3-piperazin-1-ylpyridazine-4-carboxylate
SMILESCCOC(=O)c1ccnnc1N1CCNCC1
InChIInChI=1S/C11H16N4O2/c1-2-17-11(16)9-3-4-13-14-10(9)15-7-5-12-6-8-15/h3-4,12H,2,5-8H2,1H3
InChIKeyZPUZLFSELYHFCM-UHFFFAOYSA-N
XLogP0.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-piperazin-1-ylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-piperazin-1-ylpyridazine-4-carboxylate (CID 117100428) is ethyl 3-piperazin-1-ylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-piperazin-1-ylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-piperazin-1-ylpyridazine-4-carboxylate is CCOC(=O)c1ccnnc1N1CCNCC1.
What is the InChIKey of ethyl 3-piperazin-1-ylpyridazine-4-carboxylate?
The InChIKey is ZPUZLFSELYHFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-11(16)9-3-4-13-14-10(9)15-7-5-12-6-8-15/h3-4,12H,2,5-8H2,1H3.
What are the key properties of ethyl 3-piperazin-1-ylpyridazine-4-carboxylate?
ethyl 3-piperazin-1-ylpyridazine-4-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-piperazin-1-ylpyridazine-4-carboxylate is sourced from PubChem (CID 117100428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).