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

C13H22ClN3O3 — CID 114442428

IUPAC5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCCCCOCCCNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O3/c1-2-3-8-20-9-4-5-15-11-10-16-17(6-7-18)13(19)12(11)14/h10,15,18H,2-9H2,1H3
InChIKeyAIFODYBEFQQRDE-UHFFFAOYSA-N
MW303.79 g/mol
LogP1.51
Rot. Bonds10

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

5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (PubChem CID 114442428) has the molecular formula C13H22ClN3O3 and a molecular weight of 303.79 g/mol. Its IUPAC name is 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
PubChem CID114442428
Molecular FormulaC13H22ClN3O3
Molecular Weight303.79 g/mol
Exact Mass303.13
IUPAC Name5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
SMILESCCCCOCCCNc1cnn(CCO)c(=O)c1Cl
InChIInChI=1S/C13H22ClN3O3/c1-2-3-8-20-9-4-5-15-11-10-16-17(6-7-18)13(19)12(11)14/h10,15,18H,2-9H2,1H3
InChIKeyAIFODYBEFQQRDE-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.51
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

4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017
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
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
methyl 2-[5-chloro-4-[3-(2-hydroxyethoxy)propylamino]-6-oxopyridazin-1-yl]acetate
CID 106311103
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
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-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
5-(3-aminobutylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114444841

Frequently Asked Questions

What is the IUPAC name of 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The IUPAC name of 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one (CID 114442428) is 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one.
What is the SMILES notation for 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The canonical SMILES for 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is CCCCOCCCNc1cnn(CCO)c(=O)c1Cl.
What is the InChIKey of 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
The InChIKey is AIFODYBEFQQRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN3O3/c1-2-3-8-20-9-4-5-15-11-10-16-17(6-7-18)13(19)12(11)14/h10,15,18H,2-9H2,1H3.
What are the key properties of 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one?
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one has a molecular weight of 303.79 g/mol, XLogP of 1.51, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one is sourced from PubChem (CID 114442428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).