1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone

C17H26N4O3 — CID 30773681

IUPAC1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C17H26N4O3/c1-23-13-17(22)21-11-9-20(10-12-21)15-7-8-16(19-18-15)24-14-5-3-2-4-6-14/h7-8,14H,2-6,9-13H2,1H3
InChIKeyGRFCKONMWSNGFU-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.48
Rot. Bonds5

About 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone

1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone (PubChem CID 30773681) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone
PubChem CID30773681
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1
InChIInChI=1S/C17H26N4O3/c1-23-13-17(22)21-11-9-20(10-12-21)15-7-8-16(19-18-15)24-14-5-3-2-4-6-14/h7-8,14H,2-6,9-13H2,1H3
InChIKeyGRFCKONMWSNGFU-UHFFFAOYSA-N
XLogP1.48
TPSA67.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone (CID 30773681) is 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone is COCC(=O)N1CCN(c2ccc(OC3CCCCC3)nn2)CC1.
What is the InChIKey of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone?
The InChIKey is GRFCKONMWSNGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-23-13-17(22)21-11-9-20(10-12-21)15-7-8-16(19-18-15)24-14-5-3-2-4-6-14/h7-8,14H,2-6,9-13H2,1H3.
What are the key properties of 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone?
1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone has a molecular weight of 334.42 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 30773681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).