3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine

C16H20N4O — CID 52903948

IUPAC3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
SMILESCCOc1ccc(-c2ccc(N3CCNCC3)nn2)cc1
InChIInChI=1S/C16H20N4O/c1-2-21-14-5-3-13(4-6-14)15-7-8-16(19-18-15)20-11-9-17-10-12-20/h3-8,17H,2,9-12H2,1H3
InChIKeyIKKGSTPDIWUFKV-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.95
Rot. Bonds4

About 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine

3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine (PubChem CID 52903948) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine.

Molecular Properties

Compound Name3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
PubChem CID52903948
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine
SMILESCCOc1ccc(-c2ccc(N3CCNCC3)nn2)cc1
InChIInChI=1S/C16H20N4O/c1-2-21-14-5-3-13(4-6-14)15-7-8-16(19-18-15)20-11-9-17-10-12-20/h3-8,17H,2,9-12H2,1H3
InChIKeyIKKGSTPDIWUFKV-UHFFFAOYSA-N
XLogP1.95
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine?
The IUPAC name of 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine (CID 52903948) is 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine.
What is the SMILES notation for 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine?
The canonical SMILES for 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine is CCOc1ccc(-c2ccc(N3CCNCC3)nn2)cc1.
What is the InChIKey of 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine?
The InChIKey is IKKGSTPDIWUFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-2-21-14-5-3-13(4-6-14)15-7-8-16(19-18-15)20-11-9-17-10-12-20/h3-8,17H,2,9-12H2,1H3.
What are the key properties of 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine?
3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine has a molecular weight of 284.36 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenyl)-6-piperazin-1-ylpyridazine is sourced from PubChem (CID 52903948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).