4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one

C13H16ClN3O3 — CID 115573815

IUPAC4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC(C)c2ccco2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN3O3/c1-9(11-4-3-6-20-11)16-10-8-15-17(5-7-19-2)13(18)12(10)14/h3-4,6,8-9,16H,5,7H2,1-2H3
InChIKeyXPGBNTOBSIEMLL-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.31
Rot. Bonds6

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

4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 115573815) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID115573815
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NC(C)c2ccco2)c(Cl)c1=O
InChIInChI=1S/C13H16ClN3O3/c1-9(11-4-3-6-20-11)16-10-8-15-17(5-7-19-2)13(18)12(10)14/h3-4,6,8-9,16H,5,7H2,1-2H3
InChIKeyXPGBNTOBSIEMLL-UHFFFAOYSA-N
XLogP2.31
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
methyl 2-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]-3-methylbutanoate
CID 114436175
4-chloro-5-(hexan-2-ylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 114436918
4-chloro-5-[4-(dimethylamino)butan-2-ylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115657305
4-chloro-5-[4-(furan-2-yl)butan-2-ylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436029
methyl 2-[5-bromo-4-[1-(furan-2-yl)ethylamino]-6-oxopyridazin-1-yl]acetate
CID 114433407
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
CID 113236537
4-chloro-5-[(1-hydroxy-4,4-dimethylpentan-3-yl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 106350765
4-chloro-2-(2-methoxyethyl)-5-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazin-3-one
CID 104696007
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
2-[(5-chloro-6-oxo-1-propylpyridazin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114441571
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one (CID 115573815) is 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NC(C)c2ccco2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is XPGBNTOBSIEMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c1-9(11-4-3-6-20-11)16-10-8-15-17(5-7-19-2)13(18)12(10)14/h3-4,6,8-9,16H,5,7H2,1-2H3.
What are the key properties of 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 297.74 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[1-(furan-2-yl)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 115573815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).