[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone

C21H27N5O3 — CID 109114845

IUPAC[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(NCC3CCCO3)nn2)CC1
InChIInChI=1S/C21H27N5O3/c1-28-19-7-3-2-6-18(19)25-10-12-26(13-11-25)21(27)17-8-9-20(24-23-17)22-15-16-5-4-14-29-16/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,22,24)
InChIKeyLVRAHYNLFCSOIF-UHFFFAOYSA-N
MW397.48 g/mol
LogP2.04
Rot. Bonds6

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

[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone (PubChem CID 109114845) has the molecular formula C21H27N5O3 and a molecular weight of 397.48 g/mol. Its IUPAC name is [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone.

Molecular Properties

Compound Name[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
PubChem CID109114845
Molecular FormulaC21H27N5O3
Molecular Weight397.48 g/mol
Exact Mass397.21
IUPAC Name[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
SMILESCOc1ccccc1N1CCN(C(=O)c2ccc(NCC3CCCO3)nn2)CC1
InChIInChI=1S/C21H27N5O3/c1-28-19-7-3-2-6-18(19)25-10-12-26(13-11-25)21(27)17-8-9-20(24-23-17)22-15-16-5-4-14-29-16/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,22,24)
InChIKeyLVRAHYNLFCSOIF-UHFFFAOYSA-N
XLogP2.04
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone with MolForge

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Related Compounds

[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)-3-pyridinyl]methanone
CID 109153538
[6-[2-(dimethylamino)ethylamino]pyridazin-3-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109115194
3,4-dihydro-1H-isoquinolin-2-yl-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone
CID 109114824
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[5-(oxolan-2-ylmethylamino)-2-pyridinyl]methanone
CID 109185149
(2-iodophenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053676
(4-methylphenyl)-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053660
[4-(2-methoxyphenyl)piperazin-1-yl]-(6-piperidin-1-ylpyridazin-3-yl)methanone
CID 109112503
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 109153644
4-(2-ethoxyphenyl)-N-(oxolan-2-ylmethyl)piperazine-1-carboxamide
CID 113105584
1-[4-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 121053646
2-[[[4-(2-methoxyphenyl)piperazin-1-yl]-(oxolan-2-ylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111538321
N-(2-methoxyethyl)-6-(oxolan-2-ylmethylamino)pyridazine-3-carboxamide
CID 109113900

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone?
The IUPAC name of [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone (CID 109114845) is [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone.
What is the SMILES notation for [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone?
The canonical SMILES for [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone is COc1ccccc1N1CCN(C(=O)c2ccc(NCC3CCCO3)nn2)CC1.
What is the InChIKey of [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone?
The InChIKey is LVRAHYNLFCSOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O3/c1-28-19-7-3-2-6-18(19)25-10-12-26(13-11-25)21(27)17-8-9-20(24-23-17)22-15-16-5-4-14-29-16/h2-3,6-9,16H,4-5,10-15H2,1H3,(H,22,24).
What are the key properties of [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone?
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone has a molecular weight of 397.48 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxyphenyl)piperazin-1-yl]-[6-(oxolan-2-ylmethylamino)pyridazin-3-yl]methanone is sourced from PubChem (CID 109114845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).