4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one

C7H9Cl2N3O — CID 11458705

IUPAC4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
SMILESCn1ncc(NCCCl)c(Cl)c1=O
InChIInChI=1S/C7H9Cl2N3O/c1-12-7(13)6(9)5(4-11-12)10-3-2-8/h4,10H,2-3H2,1H3
InChIKeyBQCYRSLFXXONOX-UHFFFAOYSA-N
MW222.07 g/mol
LogP1.08
Rot. Bonds3

About 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one

4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one (PubChem CID 11458705) has the molecular formula C7H9Cl2N3O and a molecular weight of 222.07 g/mol. Its IUPAC name is 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
PubChem CID11458705
Molecular FormulaC7H9Cl2N3O
Molecular Weight222.07 g/mol
Exact Mass221.01
IUPAC Name4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one
SMILESCn1ncc(NCCCl)c(Cl)c1=O
InChIInChI=1S/C7H9Cl2N3O/c1-12-7(13)6(9)5(4-11-12)10-3-2-8/h4,10H,2-3H2,1H3
InChIKeyBQCYRSLFXXONOX-UHFFFAOYSA-N
XLogP1.08
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.07
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-2-methyl-5-(2-phenylethylamino)pyridazin-3-one
CID 33286649
4-chloro-5-(5-methoxypentylamino)-2-methylpyridazin-3-one
CID 113228424
4-chloro-5-(3-hydroxypentylamino)-2-methylpyridazin-3-one
CID 115702094
4-chloro-5-(2-methoxypropylamino)-2-methylpyridazin-3-one
CID 102698939
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-propan-2-ylpropanamide
CID 113222231
4-chloro-2-methyl-5-(3-methylbut-2-enylamino)pyridazin-3-one
CID 103525314
4-chloro-5-[(2,3-dihydroxy-2-methylpropyl)amino]-2-methylpyridazin-3-one
CID 114417844
N-[2-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 113222220
4-chloro-5-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpyridazin-3-one
CID 103875740
3-[(5-chloro-1-methyl-6-oxopyridazin-4-yl)amino]-N-cyclopropylpropanamide
CID 114417848

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one (CID 11458705) is 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one is Cn1ncc(NCCCl)c(Cl)c1=O.
What is the InChIKey of 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one?
The InChIKey is BQCYRSLFXXONOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Cl2N3O/c1-12-7(13)6(9)5(4-11-12)10-3-2-8/h4,10H,2-3H2,1H3.
What are the key properties of 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one?
4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one has a molecular weight of 222.07 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(2-chloroethylamino)-2-methylpyridazin-3-one is sourced from PubChem (CID 11458705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).