2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one

C20H26N4O — CID 42110640

IUPAC2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H26N4O/c1-3-16(4-2)20(25)24-14-12-23(13-15-24)19-11-10-18(21-22-19)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyGVFYSFPRWPWXQR-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.23
Rot. Bonds5

About 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one

2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one (PubChem CID 42110640) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
PubChem CID42110640
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one
SMILESCCC(CC)C(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C20H26N4O/c1-3-16(4-2)20(25)24-14-12-23(13-15-24)19-11-10-18(21-22-19)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3
InChIKeyGVFYSFPRWPWXQR-UHFFFAOYSA-N
XLogP3.23
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]-2-ethylbutan-1-one
CID 7178105
[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108753628
2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]acetic acid
CID 82167521
2-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
CID 93156371
2-methyl-N-[(2S)-2-methylbutyl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]propanamide
CID 93156372
2-(1-adamantyl)-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 108753633
N-[(2R)-butan-2-yl]-N-[2-oxo-2-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]ethyl]cyclopropanecarboxamide
CID 93155052
2-phenoxy-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 121058263
2-phenoxy-1-[4-(6-pyridin-3-ylpyridazin-3-yl)piperazin-1-yl]propan-1-one
CID 52992436
3-methyl-N-[(2R)-2-methylbutyl]-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]butanamide
CID 93160222
N-butan-2-yl-4-methyl-N-[2-oxo-2-[4-[6-(4-phenylphenyl)pyridazin-3-yl]piperazin-1-yl]ethyl]benzamide
CID 42836541
2-phenyl-1-[4-(6-pyridin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 121058240

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The IUPAC name of 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one (CID 42110640) is 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one.
What is the SMILES notation for 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The canonical SMILES for 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one is CCC(CC)C(=O)N1CCN(c2ccc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
The InChIKey is GVFYSFPRWPWXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-3-16(4-2)20(25)24-14-12-23(13-15-24)19-11-10-18(21-22-19)17-8-6-5-7-9-17/h5-11,16H,3-4,12-15H2,1-2H3.
What are the key properties of 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one?
2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one has a molecular weight of 338.46 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-[4-(6-phenylpyridazin-3-yl)piperazin-1-yl]butan-1-one is sourced from PubChem (CID 42110640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).