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

C14H24ClN3O2 — CID 114440994

IUPAC2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCCOCCC)c(Cl)c1=O
InChIInChI=1S/C14H24ClN3O2/c1-3-5-8-18-14(19)13(15)12(11-17-18)16-7-6-10-20-9-4-2/h11,16H,3-10H2,1-2H3
InChIKeyVTUDWSIHQYFMDH-UHFFFAOYSA-N
MW301.82 g/mol
LogP2.93
Rot. Bonds10

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

2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one (PubChem CID 114440994) has the molecular formula C14H24ClN3O2 and a molecular weight of 301.82 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
PubChem CID114440994
Molecular FormulaC14H24ClN3O2
Molecular Weight301.82 g/mol
Exact Mass301.16
IUPAC Name2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one
SMILESCCCCn1ncc(NCCCOCCC)c(Cl)c1=O
InChIInChI=1S/C14H24ClN3O2/c1-3-5-8-18-14(19)13(15)12(11-17-18)16-7-6-10-20-9-4-2/h11,16H,3-10H2,1-2H3
InChIKeyVTUDWSIHQYFMDH-UHFFFAOYSA-N
XLogP2.93
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.82
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-2-(2-hydroxyethyl)-5-(3-propoxypropylamino)pyridazin-3-one
CID 114441017
5-(3-butoxypropylamino)-4-chloro-2-(2-hydroxyethyl)pyridazin-3-one
CID 114442428
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
4-chloro-5-[3-(2-hydroxyethoxy)propylamino]-2-(2-hydroxyethyl)pyridazin-3-one
CID 106311130
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-(3,3,3-trifluoropropylamino)pyridazin-3-one
CID 114437610
3-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]-N-ethylpropanamide
CID 114441609
2-butyl-4-chloro-5-(cyclopentylmethylamino)pyridazin-3-one
CID 114433066
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one (CID 114440994) is 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one is CCCCn1ncc(NCCCOCCC)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one?
The InChIKey is VTUDWSIHQYFMDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O2/c1-3-5-8-18-14(19)13(15)12(11-17-18)16-7-6-10-20-9-4-2/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one?
2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one has a molecular weight of 301.82 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-(3-propoxypropylamino)pyridazin-3-one is sourced from PubChem (CID 114440994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).