[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

C20H28N6O2 — CID 109115194

IUPAC[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(NCCN(C)C)nn2)CC1
InChIInChI=1S/C20H28N6O2/c1-24(2)11-10-21-19-9-8-16(22-23-19)20(27)26-14-12-25(13-15-26)17-6-4-5-7-18(17)28-3/h4-9H,10-15H2,1-3H3,(H,21,23)
InChIKeyHOVXNYKIYVIMFB-UHFFFAOYSA-N
MW384.48 g/mol
LogP1.42
Rot. Bonds7

About [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone

[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109115194) has the molecular formula C20H28N6O2 and a molecular weight of 384.48 g/mol. Its IUPAC name is [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109115194
Molecular FormulaC20H28N6O2
Molecular Weight384.48 g/mol
Exact Mass384.23
IUPAC Name[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(NCCN(C)C)nn2)CC1
InChIInChI=1S/C20H28N6O2/c1-24(2)11-10-21-19-9-8-16(22-23-19)20(27)26-14-12-25(13-15-26)17-6-4-5-7-18(17)28-3/h4-9H,10-15H2,1-3H3,(H,21,23)
InChIKeyHOVXNYKIYVIMFB-UHFFFAOYSA-N
XLogP1.42
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[6-[3-(dimethylamino)propylamino]pyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109344728
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114845
[2-[3-(dimethylamino)propylamino]pyrimidin-5-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109253522
4-[6-[2-(2-methoxyphenyl)ethylamino]pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116947
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
3,4-dihydro-2H-quinolin-1-yl-[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]methanone
CID 109115226
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[2-[4-(2-methoxyphenyl)piperazine-1-carbonyl]phenyl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 4116089
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109361605
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)pyridazin-3-yl]methanone
CID 109114134
(4-benzylpiperidin-1-yl)-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]methanone
CID 109115841

Frequently Asked Questions

What is the IUPAC name of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone (CID 109115194) is [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc(NCCN(C)C)nn2)CC1.
What is the InChIKey of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is HOVXNYKIYVIMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O2/c1-24(2)11-10-21-19-9-8-16(22-23-19)20(27)26-14-12-25(13-15-26)17-6-4-5-7-18(17)28-3/h4-9H,10-15H2,1-3H3,(H,21,23).
What are the key properties of [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone?
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 384.48 g/mol, XLogP of 1.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109115194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).