4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one

C11H18ClN3O3 — CID 113236537

IUPAC4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCCC(C)O)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O3/c1-8(16)3-4-13-9-7-14-15(5-6-18-2)11(17)10(9)12/h7-8,13,16H,3-6H2,1-2H3
InChIKeyWZTAMCOARRPTAB-UHFFFAOYSA-N
MW275.74 g/mol
LogP0.73
Rot. Bonds7

About 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one

4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one (PubChem CID 113236537) has the molecular formula C11H18ClN3O3 and a molecular weight of 275.74 g/mol. Its IUPAC name is 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
PubChem CID113236537
Molecular FormulaC11H18ClN3O3
Molecular Weight275.74 g/mol
Exact Mass275.10
IUPAC Name4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one
SMILESCOCCn1ncc(NCCC(C)O)c(Cl)c1=O
InChIInChI=1S/C11H18ClN3O3/c1-8(16)3-4-13-9-7-14-15(5-6-18-2)11(17)10(9)12/h7-8,13,16H,3-6H2,1-2H3
InChIKeyWZTAMCOARRPTAB-UHFFFAOYSA-N
XLogP0.73
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-(3-hydroxybutylamino)-2-propylpyridazin-3-one
CID 114439110
4-chloro-2-(2-methoxyethyl)-5-(4-methylpentylamino)pyridazin-3-one
CID 115579123
4-chloro-2-(2-methoxyethyl)-5-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazin-3-one
CID 115681445
4-chloro-5-[2-(dimethylamino)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115573762
4-chloro-5-[(2-hydroxy-2-methylpropyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 113234186
4-chloro-5-[2-(2,2-difluoroethoxy)ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103081526
4-chloro-5-[(2-hydroxy-2,4-dimethylpentyl)amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 114439793
4-chloro-5-[[2-ethyl-2-(hydroxymethyl)butyl]amino]-2-(2-methoxyethyl)pyridazin-3-one
CID 103844418
4-chloro-5-[2-[ethyl(methyl)amino]ethylamino]-2-(2-methoxyethyl)pyridazin-3-one
CID 115898938
4-chloro-2-(2-methoxyethyl)-5-(3-methylbutan-2-ylamino)pyridazin-3-one
CID 115619375
3-[[5-chloro-1-(2-methoxyethyl)-6-oxopyridazin-4-yl]amino]propane-1-sulfonamide
CID 114436529
methyl 2-[5-chloro-4-(4-hydroxypentylamino)-6-oxopyridazin-1-yl]acetate
CID 106136759

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The IUPAC name of 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one (CID 113236537) is 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The canonical SMILES for 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one is COCCn1ncc(NCCC(C)O)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one?
The InChIKey is WZTAMCOARRPTAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN3O3/c1-8(16)3-4-13-9-7-14-15(5-6-18-2)11(17)10(9)12/h7-8,13,16H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one?
4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one has a molecular weight of 275.74 g/mol, XLogP of 0.73, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-hydroxybutylamino)-2-(2-methoxyethyl)pyridazin-3-one is sourced from PubChem (CID 113236537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).