4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one

C10H14ClN3O — CID 133439303

IUPAC4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one
SMILESC=C(C)CN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-7(2)6-13(3)8-5-12-14(4)10(15)9(8)11/h5H,1,6H2,2-4H3
InChIKeyFJXJAIGQPOPHDM-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.45
Rot. Bonds3

About 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one (PubChem CID 133439303) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one
PubChem CID133439303
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one
SMILESC=C(C)CN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C10H14ClN3O/c1-7(2)6-13(3)8-5-12-14(4)10(15)9(8)11/h5H,1,6H2,2-4H3
InChIKeyFJXJAIGQPOPHDM-UHFFFAOYSA-N
XLogP1.45
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-Chloro-5-fluoro-2-(2-methylprop-1-enyl)pyridazin-3-one
CID 139696795
4-Chloro-5-(dimethylamino)-2-methylpyridazin-3(2H)-one
CID 13410294
2-t-butyl-4-chloro-5-dimethylamino-3(2H)-pyridazinone
CID 18918858
4,5-dichloro-2-(2-methyl-2-propenyl)-3(2H)-pyridazinone
CID 23039515
4-chloro-2-methyl-5-(1-pyrrolidinyl)-3(2H)-pyridazinone
CID 33286634
4,5-Dichloro-2-(2-methylprop-1-enyl)pyridazin-3-one
CID 139696792
4-Chloro-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 151182962
4-Chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one
CID 13381138
4-Chloro-5-[cyclopropyl(propyl)amino]-2-methylpyridazin-3-one
CID 86794321
4-Chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one
CID 86804802
4-Chloro-2-methyl-5-[methyl(prop-2-ynyl)amino]pyridazin-3-one
CID 100705335
2-[2-(Chloromethyl)prop-2-enyl]-5-(dimethylamino)pyridazin-3-one
CID 103065883

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one (CID 133439303) is 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one is C=C(C)CN(C)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one?
The InChIKey is FJXJAIGQPOPHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-7(2)6-13(3)8-5-12-14(4)10(15)9(8)11/h5H,1,6H2,2-4H3.
What are the key properties of 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one has a molecular weight of 227.69 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[methyl(2-methylprop-2-enyl)amino]pyridazin-3-one is sourced from PubChem (CID 133439303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).