4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one

C10H14ClN3O — CID 103525314

IUPAC4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
SMILESCC(C)=CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-7(2)4-5-12-8-6-13-14(3)10(15)9(8)11/h4,6,12H,5H2,1-3H3
InChIKeyGHMSJBAPJDGOIB-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.81
Rot. Bonds3

About 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one

4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one (PubChem CID 103525314) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
PubChem CID103525314
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
SMILESCC(C)=CCNc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-7(2)4-5-12-8-6-13-14(3)10(15)9(8)11/h4,6,12H,5H2,1-3H3
InChIKeyGHMSJBAPJDGOIB-UHFFFAOYSA-N
XLogP1.81
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)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-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
CID 11458705
4-chloro-5-[(4-hydroxy-2-methylbutan-2-yl)amino]-2-methylpyridazin-3-one
CID 115681090
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-2-methyl-5-[(3,3,3-trifluoro-2-hydroxypropyl)amino]pyridazin-3-one
CID 113222234
5-[(2-amino-3-hydroxybutyl)amino]-4-chloro-2-methylpyridazin-3-one
CID 114445572
4-chloro-5-[(3-hydroxycyclopentyl)methylamino]-2-methylpyridazin-3-one
CID 103269750
4-chloro-5-[2-(diethylamino)ethylamino]-2-methylpyridazin-3-one
CID 12919579
2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-methylethanesulfonamide
CID 102675428
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
4-chloro-2-methyl-5-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridazin-3-one
CID 47149136
4-bromo-5-(3-methylbut-2-enylamino)-2-propylpyridazin-3-one
CID 114156177

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one (CID 103525314) is 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one is CC(C)=CCNc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one?
The InChIKey is GHMSJBAPJDGOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)4-5-12-8-6-13-14(3)10(15)9(8)11/h4,6,12H,5H2,1-3H3.
What are the key properties of 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one?
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one has a molecular weight of 227.69 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one is sourced from PubChem (CID 103525314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).