4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide

C12H20ClN5O2 — CID 114433901

IUPAC4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
SMILESCN(C)CCn1ncc(NCCCC(N)=O)c(Cl)c1=O
InChIInChI=1S/C12H20ClN5O2/c1-17(2)6-7-18-12(20)11(13)9(8-16-18)15-5-3-4-10(14)19/h8,15H,3-7H2,1-2H3,(H2,14,19)
InChIKeyLHOQLPJVIZFHFK-UHFFFAOYSA-N
MW301.78 g/mol
LogP0.14
Rot. Bonds8

About 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide

4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide (PubChem CID 114433901) has the molecular formula C12H20ClN5O2 and a molecular weight of 301.78 g/mol. Its IUPAC name is 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide.

Molecular Properties

Compound Name4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
PubChem CID114433901
Molecular FormulaC12H20ClN5O2
Molecular Weight301.78 g/mol
Exact Mass301.13
IUPAC Name4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide
SMILESCN(C)CCn1ncc(NCCCC(N)=O)c(Cl)c1=O
InChIInChI=1S/C12H20ClN5O2/c1-17(2)6-7-18-12(20)11(13)9(8-16-18)15-5-3-4-10(14)19/h8,15H,3-7H2,1-2H3,(H2,14,19)
InChIKeyLHOQLPJVIZFHFK-UHFFFAOYSA-N
XLogP0.14
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide 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-5-[4-(dimethylamino)butylamino]-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114436664
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl carbamate
CID 114441286
3-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylpropanamide
CID 114436512
4-chloro-2-[2-(dimethylamino)ethyl]-5-[3-(ethylamino)propylamino]pyridazin-3-one
CID 114444114
4-chloro-2-[2-(dimethylamino)ethyl]-5-(3,3-dimethylbutylamino)pyridazin-3-one
CID 114443265
5-(but-3-ynylamino)-4-chloro-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114438445
2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]-N-methylethanesulfonamide
CID 106337817
N-[2-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]ethyl]methanesulfonamide
CID 114433518
4-chloro-2-[2-(dimethylamino)ethyl]-5-(prop-2-enylamino)pyridazin-3-one
CID 114436885
4-chloro-5-(2-cyclobutylethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one
CID 114442315
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 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide?
The IUPAC name of 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide (CID 114433901) is 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide.
What is the SMILES notation for 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide?
The canonical SMILES for 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide is CN(C)CCn1ncc(NCCCC(N)=O)c(Cl)c1=O.
What is the InChIKey of 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide?
The InChIKey is LHOQLPJVIZFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20ClN5O2/c1-17(2)6-7-18-12(20)11(13)9(8-16-18)15-5-3-4-10(14)19/h8,15H,3-7H2,1-2H3,(H2,14,19).
What are the key properties of 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide?
4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide has a molecular weight of 301.78 g/mol, XLogP of 0.14, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-chloro-1-[2-(dimethylamino)ethyl]-6-oxopyridazin-4-yl]amino]butanamide is sourced from PubChem (CID 114433901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).