2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one

C15H17N3O3 — CID 62849772

IUPAC2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNC(Cn1ncccc1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O3/c1-2-16-12(9-18-15(19)4-3-7-17-18)11-5-6-13-14(8-11)21-10-20-13/h3-8,12,16H,2,9-10H2,1H3
InChIKeyLKKPYTAWIIDCJG-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.32
Rot. Bonds5

About 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one

2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one (PubChem CID 62849772) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one
PubChem CID62849772
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNC(Cn1ncccc1=O)c1ccc2c(c1)OCO2
InChIInChI=1S/C15H17N3O3/c1-2-16-12(9-18-15(19)4-3-7-17-18)11-5-6-13-14(8-11)21-10-20-13/h3-8,12,16H,2,9-10H2,1H3
InChIKeyLKKPYTAWIIDCJG-UHFFFAOYSA-N
XLogP1.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethylpropan-1-amine
CID 43490454
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(3-methoxypropylsulfanyl)ethanamine
CID 64628475
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(ethylamino)propanoic acid
CID 65234367
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
CID 66274557
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-ethyl-2-pyridin-2-ylethanamine
CID 62791202
1-(1,3-benzodioxol-5-yl)-N-ethyl-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethanamine
CID 64648038
ethyl 2-(1,3-benzodioxol-5-yl)-2-(ethylamino)acetate
CID 60785863
N-[1,3-benzodioxol-5-yl-(4-methoxyphenyl)methyl]ethanamine
CID 43489246
1-(1,3-benzodioxol-5-yl)-N-ethyl-N'-methyl-N'-[(2-methylcyclopropyl)methyl]ethane-1,2-diamine
CID 63880282
N-[2,3-dihydro-1,4-benzodioxin-6-yl(pyridin-3-yl)methyl]ethanamine
CID 43490467
(3R)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(ethylamino)propan-1-ol
CID 97031545
2-[3-(1,3-benzodioxol-5-yl)-6-oxopyridazin-1-yl]-N-[2-(6-oxopyridazin-1-yl)ethyl]acetamide
CID 121051226

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one (CID 62849772) is 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one is CCNC(Cn1ncccc1=O)c1ccc2c(c1)OCO2.
What is the InChIKey of 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one?
The InChIKey is LKKPYTAWIIDCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-2-16-12(9-18-15(19)4-3-7-17-18)11-5-6-13-14(8-11)21-10-20-13/h3-8,12,16H,2,9-10H2,1H3.
What are the key properties of 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one?
2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one has a molecular weight of 287.32 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzodioxol-5-yl)-2-(ethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 62849772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).