1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone

C21H29N5O2 — CID 122335567

IUPAC1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)COCc3ccccc3)CC2)nn1
InChIInChI=1S/C21H29N5O2/c1-3-24(4-2)19-10-11-20(23-22-19)25-12-14-26(15-13-25)21(27)17-28-16-18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3
InChIKeyYMEQFGOSYBBTIA-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.19
Rot. Bonds8

About 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone

1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone (PubChem CID 122335567) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone.

Molecular Properties

Compound Name1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
PubChem CID122335567
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
SMILESCCN(CC)c1ccc(N2CCN(C(=O)COCc3ccccc3)CC2)nn1
InChIInChI=1S/C21H29N5O2/c1-3-24(4-2)19-10-11-20(23-22-19)25-12-14-26(15-13-25)21(27)17-28-16-18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3
InChIKeyYMEQFGOSYBBTIA-UHFFFAOYSA-N
XLogP2.19
TPSA61.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122336438
1-[4-[6-(ethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122350830
1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122347176
1-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-2-phenylmethoxyethanone
CID 122343519
1-[4-[6-(dimethylamino)pyridazin-3-yl]piperazin-1-yl]-3-phenylpropan-1-one
CID 121053737
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-naphthalen-2-ylmethanone
CID 121053870
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(1,2-oxazol-5-yl)methanone
CID 122335476
(4-bromophenyl)-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053372
1-(azepan-1-yl)-2-phenylmethoxyethanone
CID 60646013
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-(2,3-dimethoxyphenyl)methanone
CID 121053866
[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(3-methoxyphenyl)-1-methylpyrazol-5-yl]methanone
CID 122335592
N-(4-chlorophenyl)-4-[6-(diethylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 122335421

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
The IUPAC name of 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone (CID 122335567) is 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone.
What is the SMILES notation for 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
The canonical SMILES for 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone is CCN(CC)c1ccc(N2CCN(C(=O)COCc3ccccc3)CC2)nn1.
What is the InChIKey of 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
The InChIKey is YMEQFGOSYBBTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-3-24(4-2)19-10-11-20(23-22-19)25-12-14-26(15-13-25)21(27)17-28-16-18-8-6-5-7-9-18/h5-11H,3-4,12-17H2,1-2H3.
What are the key properties of 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone?
1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone has a molecular weight of 383.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-2-phenylmethoxyethanone is sourced from PubChem (CID 122335567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).