1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

C19H25N5O3 — CID 122350758

IUPAC1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCCNc1ccc(N2CCN(C(=O)COc3ccccc3OC)CC2)nn1
InChIInChI=1S/C19H25N5O3/c1-3-20-17-8-9-18(22-21-17)23-10-12-24(13-11-23)19(25)14-27-16-7-5-4-6-15(16)26-2/h4-9H,3,10-14H2,1-2H3,(H,20,21)
InChIKeyRQDLCIBXZVXOHT-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.64
Rot. Bonds7

About 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone

1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (PubChem CID 122350758) has the molecular formula C19H25N5O3 and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.

Molecular Properties

Compound Name1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
PubChem CID122350758
Molecular FormulaC19H25N5O3
Molecular Weight371.44 g/mol
Exact Mass371.20
IUPAC Name1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
SMILESCCNc1ccc(N2CCN(C(=O)COc3ccccc3OC)CC2)nn1
InChIInChI=1S/C19H25N5O3/c1-3-20-17-8-9-18(22-21-17)23-10-12-24(13-11-23)19(25)14-27-16-7-5-4-6-15(16)26-2/h4-9H,3,10-14H2,1-2H3,(H,20,21)
InChIKeyRQDLCIBXZVXOHT-UHFFFAOYSA-N
XLogP1.64
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]-2-(2-methylphenoxy)ethanone
CID 16883364
2-(2-methoxyphenoxy)-1-(4-phenylpiperazin-1-yl)ethanone
CID 823385
1-[4-(2-ethylphenyl)piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 113075819
6-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 94985371
4-[6-(ethylamino)pyridazin-3-yl]-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 122350638
benzyl N-[2-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]carbamate
CID 122350841
1-[4-[6-(ethylamino)-2-methylpyrimidin-4-yl]piperazin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 122351688
2-(2-methoxyphenoxy)-1-[4-(4-pyrrolidin-1-ylphenyl)piperazin-1-yl]ethanone
CID 113078931
1-[4-[2-(2-ethoxyphenoxy)acetyl]-1,4-diazepan-1-yl]-2-(2-methoxyphenoxy)ethanone
CID 108546426
2-[4-[2-(2-methoxyphenoxy)acetyl]piperazin-1-yl]-2-oxoacetic acid
CID 2050367
2-(2-methylphenoxy)-1-[4-(6-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]ethanone
CID 122335212

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The IUPAC name of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone (CID 122350758) is 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone.
What is the SMILES notation for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The canonical SMILES for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is CCNc1ccc(N2CCN(C(=O)COc3ccccc3OC)CC2)nn1.
What is the InChIKey of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
The InChIKey is RQDLCIBXZVXOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3/c1-3-20-17-8-9-18(22-21-17)23-10-12-24(13-11-23)19(25)14-27-16-7-5-4-6-15(16)26-2/h4-9H,3,10-14H2,1-2H3,(H,20,21).
What are the key properties of 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone?
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone has a molecular weight of 371.44 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-(2-methoxyphenoxy)ethanone is sourced from PubChem (CID 122350758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).