3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine

C18H22Cl2N4O2 — CID 15984826

IUPAC3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine
SMILESCCOc1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1
InChIInChI=1S/C18H22Cl2N4O2/c1-2-25-14-3-5-15(6-4-14)26-12-11-23-7-9-24(10-8-23)16-13-17(19)21-22-18(16)20/h3-6,13H,2,7-12H2,1H3
InChIKeyAZGCNGQSHHZWQM-UHFFFAOYSA-N
MW397.31 g/mol
LogP3.38
Rot. Bonds7

About 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine

3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine (PubChem CID 15984826) has the molecular formula C18H22Cl2N4O2 and a molecular weight of 397.31 g/mol. Its IUPAC name is 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine.

Molecular Properties

Compound Name3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine
PubChem CID15984826
Molecular FormulaC18H22Cl2N4O2
Molecular Weight397.31 g/mol
Exact Mass396.11
IUPAC Name3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine
SMILESCCOc1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1
InChIInChI=1S/C18H22Cl2N4O2/c1-2-25-14-3-5-15(6-4-14)26-12-11-23-7-9-24(10-8-23)16-13-17(19)21-22-18(16)20/h3-6,13H,2,7-12H2,1H3
InChIKeyAZGCNGQSHHZWQM-UHFFFAOYSA-N
XLogP3.38
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine?
The IUPAC name of 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine (CID 15984826) is 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine.
What is the SMILES notation for 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine?
The canonical SMILES for 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine is CCOc1ccc(OCCN2CCN(c3cc(Cl)nnc3Cl)CC2)cc1.
What is the InChIKey of 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine?
The InChIKey is AZGCNGQSHHZWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Cl2N4O2/c1-2-25-14-3-5-15(6-4-14)26-12-11-23-7-9-24(10-8-23)16-13-17(19)21-22-18(16)20/h3-6,13H,2,7-12H2,1H3.
What are the key properties of 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine?
3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine has a molecular weight of 397.31 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-4-[4-[2-(4-ethoxyphenoxy)ethyl]piperazin-1-yl]pyridazine is sourced from PubChem (CID 15984826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).