4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one

C12H20ClN3O3 — CID 114441017

IUPAC4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
SMILESCCCOCCCNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C12H20ClN3O3/c1-2-7-19-8-3-4-14-10-9-15-16(5-6-17)12(18)11(10)13/h9,14,17H,2-8H2,1H3
InChIKeyWXFZVXHXMSMTQW-UHFFFAOYSA-N
MW289.76 g/mol
LogP1.12
Rot. Bonds9

About 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one

4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one (PubChem CID 114441017) has the molecular formula C12H20ClN3O3 and a molecular weight of 289.76 g/mol. Its IUPAC name is 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
PubChem CID114441017
Molecular FormulaC12H20ClN3O3
Molecular Weight289.76 g/mol
Exact Mass289.12
IUPAC Name4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
SMILESCCCOCCCNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C12H20ClN3O3/c1-2-7-19-8-3-4-14-10-9-15-16(5-6-17)12(18)11(10)13/h9,14,17H,2-8H2,1H3
InChIKeyWXFZVXHXMSMTQW-UHFFFAOYSA-N
XLogP1.12
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.76
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
CID 114440994
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
methyl 2-[5-chloro-4-[3-(2-hydroxyethoxy)propylamino]-6-oxopyridazin-1-yl]acetate
CID 106311103
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-[[5-chloro-1-(2-hydroxyethyl)-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441285
4-bromo-5-[3-(2-hydroxyethoxy)propylamino]-2-propylpyridazin-3-one
CID 106311115
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
4-chloro-5-[(1-ethylpiperidin-4-yl)methylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 114436233
4-chloro-5-(2-cyclohexylethylamino)-2-(2-hydroxyethyl)pyridazin-3-one
CID 114434041

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one (CID 114441017) is 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one is CCCOCCCNc1cnn(CCO)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one?
The InChIKey is WXFZVXHXMSMTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN3O3/c1-2-7-19-8-3-4-14-10-9-15-16(5-6-17)12(18)11(10)13/h9,14,17H,2-8H2,1H3.
What are the key properties of 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one?
4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one has a molecular weight of 289.76 g/mol, XLogP of 1.12, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one is sourced from PubChem (CID 114441017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).