1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone

C16H24N4O2 — CID 30773653

IUPAC1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(21)19-9-11-20(12-10-19)15-7-8-16(18-17-15)22-14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyVAYLQMIFBSWBIW-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.86
Rot. Bonds3

About 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone

1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone (PubChem CID 30773653) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone
PubChem CID30773653
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C16H24N4O2/c1-13(21)19-9-11-20(12-10-19)15-7-8-16(18-17-15)22-14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3
InChIKeyVAYLQMIFBSWBIW-UHFFFAOYSA-N
XLogP1.86
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone (CID 30773653) is 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone?
The InChIKey is VAYLQMIFBSWBIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-13(21)19-9-11-20(12-10-19)15-7-8-16(18-17-15)22-14-5-3-2-4-6-14/h7-8,14H,2-6,9-12H2,1H3.
What are the key properties of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone?
1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone has a molecular weight of 304.39 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 30773653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).