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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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).