4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one

C13H16ClN3O2 — CID 114434721

IUPAC4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
SMILESCCn1ncc(NC(C)c2ccc(C)o2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN3O2/c1-4-17-13(18)12(14)10(7-15-17)16-9(3)11-6-5-8(2)19-11/h5-7,9,16H,4H2,1-3H3
InChIKeyVFJUYXOLBJRJIJ-UHFFFAOYSA-N
MW281.74 g/mol
LogP2.99
Rot. Bonds4

About 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one

4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one (PubChem CID 114434721) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
PubChem CID114434721
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
SMILESCCn1ncc(NC(C)c2ccc(C)o2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN3O2/c1-4-17-13(18)12(14)10(7-15-17)16-9(3)11-6-5-8(2)19-11/h5-7,9,16H,4H2,1-3H3
InChIKeyVFJUYXOLBJRJIJ-UHFFFAOYSA-N
XLogP2.99
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-4-chloro-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 114434723
4-chloro-2-ethyl-5-[1-(4-ethylphenyl)ethylamino]pyridazin-3-one
CID 114434311
4-chloro-2-ethyl-5-(1-hydroxypropan-2-ylamino)pyridazin-3-one
CID 114433216
2-[(5-chloro-1-ethyl-6-oxopyridazin-4-yl)amino]propanamide
CID 114433471
4-bromo-2-methyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one
CID 113235044
4-chloro-5-[1-(4-methylphenyl)ethylamino]-2-propylpyridazin-3-one
CID 114435974
4-chloro-2-ethyl-5-(1-thiophen-2-ylpropan-2-ylamino)pyridazin-3-one
CID 114437766
4-chloro-5-(1-cyclohexylethylamino)-2-ethylpyridazin-3-one
CID 114437060
4-chloro-2-ethyl-5-(3-methylbutylamino)pyridazin-3-one
CID 114432236
4-chloro-2-ethyl-5-(hex-1-yn-3-ylamino)pyridazin-3-one
CID 114161493
5-[1-(4-aminophenyl)ethylamino]-4-chloro-2-propylpyridazin-3-one
CID 114447317
4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573815

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one (CID 114434721) is 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one is CCn1ncc(NC(C)c2ccc(C)o2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
The InChIKey is VFJUYXOLBJRJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-4-17-13(18)12(14)10(7-15-17)16-9(3)11-6-5-8(2)19-11/h5-7,9,16H,4H2,1-3H3.
What are the key properties of 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one?
4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one has a molecular weight of 281.74 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-[1-(5-methylfuran-2-yl)ethylamino]pyridazin-3-one is sourced from PubChem (CID 114434721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).