ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate

C12H17ClN4O2 — CID 58299924

IUPACethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-2-19-12(18)9-16-5-7-17(8-6-16)11-4-3-10(13)14-15-11/h3-4H,2,5-9H2,1H3
InChIKeyZYMLWDOAAOHQIQ-UHFFFAOYSA-N
MW284.75 g/mol
LogP0.82
Rot. Bonds4

About ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate

ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate (PubChem CID 58299924) has the molecular formula C12H17ClN4O2 and a molecular weight of 284.75 g/mol. Its IUPAC name is ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate
PubChem CID58299924
Molecular FormulaC12H17ClN4O2
Molecular Weight284.75 g/mol
Exact Mass284.10
IUPAC Nameethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate
SMILESCCOC(=O)CN1CCN(c2ccc(Cl)nn2)CC1
InChIInChI=1S/C12H17ClN4O2/c1-2-19-12(18)9-16-5-7-17(8-6-16)11-4-3-10(13)14-15-11/h3-4H,2,5-9H2,1H3
InChIKeyZYMLWDOAAOHQIQ-UHFFFAOYSA-N
XLogP0.82
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.75
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate?
The IUPAC name of ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate (CID 58299924) is ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate is CCOC(=O)CN1CCN(c2ccc(Cl)nn2)CC1.
What is the InChIKey of ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate?
The InChIKey is ZYMLWDOAAOHQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4O2/c1-2-19-12(18)9-16-5-7-17(8-6-16)11-4-3-10(13)14-15-11/h3-4H,2,5-9H2,1H3.
What are the key properties of ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate?
ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate has a molecular weight of 284.75 g/mol, XLogP of 0.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(6-chloropyridazin-3-yl)piperazin-1-yl]acetate is sourced from PubChem (CID 58299924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).