2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one

C13H17N3O2 — CID 62924452

IUPAC2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C)c2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-10-5-6-13(17)16(15-10)8-7-14-11(2)12-4-3-9-18-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyLQUFSCHLUKTYGR-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.50
Rot. Bonds5

About 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one

2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one (PubChem CID 62924452) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one
PubChem CID62924452
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one
SMILESCc1ccc(=O)n(CCNC(C)c2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-10-5-6-13(17)16(15-10)8-7-14-11(2)12-4-3-9-18-12/h3-6,9,11,14H,7-8H2,1-2H3
InChIKeyLQUFSCHLUKTYGR-UHFFFAOYSA-N
XLogP1.50
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[2-(propan-2-ylamino)ethyl]pyridazin-3-one
CID 62923541
N-[2-(3-methyl-6-oxopyridazin-1-yl)ethyl]furan-2-carboxamide
CID 121059019
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62565271
N-[2-(benzotriazol-1-yl)ethyl]-1-(furan-2-yl)ethanamine
CID 62562505
3-[2-[1-(furan-2-yl)ethylamino]ethyl]quinazolin-4-one
CID 62563208
methyl 3-[1-(furan-2-yl)ethylamino]propanoate
CID 43139742
1-(furan-2-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]ethanamine
CID 104629058
1-(furan-2-yl)-N-[2-[5-(furan-2-yl)tetrazol-2-yl]ethyl]ethanamine
CID 62566253
N-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethyl]-1-(furan-2-yl)ethanamine
CID 62582277
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121076228

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one?
The IUPAC name of 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one (CID 62924452) is 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one?
The canonical SMILES for 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one is Cc1ccc(=O)n(CCNC(C)c2ccco2)n1.
What is the InChIKey of 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one?
The InChIKey is LQUFSCHLUKTYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-10-5-6-13(17)16(15-10)8-7-14-11(2)12-4-3-9-18-12/h3-6,9,11,14H,7-8H2,1-2H3.
What are the key properties of 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one?
2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one has a molecular weight of 247.30 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(furan-2-yl)ethylamino]ethyl]-6-methylpyridazin-3-one is sourced from PubChem (CID 62924452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).