2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one

C15H26ClN3O2 — CID 106287447

IUPAC2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(O)C(CC)CC)c(Cl)c1=O
InChIInChI=1S/C15H26ClN3O2/c1-4-7-8-19-15(21)14(16)12(9-18-19)17-10-13(20)11(5-2)6-3/h9,11,13,17,20H,4-8,10H2,1-3H3
InChIKeyBEYCIXLJNXDMDO-UHFFFAOYSA-N
MW315.85 g/mol
LogP2.91
Rot. Bonds9

About 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one

2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one (PubChem CID 106287447) has the molecular formula C15H26ClN3O2 and a molecular weight of 315.85 g/mol. Its IUPAC name is 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
PubChem CID106287447
Molecular FormulaC15H26ClN3O2
Molecular Weight315.85 g/mol
Exact Mass315.17
IUPAC Name2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one
SMILESCCCCn1ncc(NCC(O)C(CC)CC)c(Cl)c1=O
InChIInChI=1S/C15H26ClN3O2/c1-4-7-8-19-15(21)14(16)12(9-18-19)17-10-13(20)11(5-2)6-3/h9,11,13,17,20H,4-8,10H2,1-3H3
InChIKeyBEYCIXLJNXDMDO-UHFFFAOYSA-N
XLogP2.91
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]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

2-butyl-4-chloro-5-[(2-ethyl-4-hydroxybutyl)amino]pyridazin-3-one
CID 114440306
2-butyl-4-chloro-5-(2-hydroxyethylamino)pyridazin-3-one
CID 114432696
2-butyl-4-chloro-5-(pentylamino)pyridazin-3-one
CID 114432168
2-butyl-4-chloro-5-[2-(methylamino)ethylamino]pyridazin-3-one
CID 114444552
2-butyl-4-chloro-5-(propan-2-ylamino)pyridazin-3-one
CID 114431308
2-butyl-4-chloro-5-(4-methylpentylamino)pyridazin-3-one
CID 114434651
2-butyl-4-chloro-5-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]pyridazin-3-one
CID 106248206
5-(3-aminopropylamino)-2-butyl-4-chloropyridazin-3-one
CID 114444467
N-[2-[(1-butyl-5-chloro-6-oxopyridazin-4-yl)amino]ethyl]acetamide
CID 114433549
2-butyl-4-chloro-5-[(2-methyl-2-methylsulfanylpropyl)amino]pyridazin-3-one
CID 114442319
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-hydroxybutylamino)pyridazin-3-one
CID 114442752
4-chloro-2-[2-(dimethylamino)ethyl]-5-(2-ethylbutylamino)pyridazin-3-one
CID 114443287

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one?
The IUPAC name of 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one (CID 106287447) is 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one?
The canonical SMILES for 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one is CCCCn1ncc(NCC(O)C(CC)CC)c(Cl)c1=O.
What is the InChIKey of 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one?
The InChIKey is BEYCIXLJNXDMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3O2/c1-4-7-8-19-15(21)14(16)12(9-18-19)17-10-13(20)11(5-2)6-3/h9,11,13,17,20H,4-8,10H2,1-3H3.
What are the key properties of 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one?
2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one has a molecular weight of 315.85 g/mol, XLogP of 2.91, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-chloro-5-[(3-ethyl-2-hydroxypentyl)amino]pyridazin-3-one is sourced from PubChem (CID 106287447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).