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

C7H9ClN4O — CID 13381138

IUPAC4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one
SMILESC=NN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H9ClN4O/c1-9-11(2)5-4-10-12(3)7(13)6(5)8/h4H,1H2,2-3H3
InChIKeyULJHTTHVGKEDBY-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.49
Rot. Bonds2

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

4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one (PubChem CID 13381138) has the molecular formula C7H9ClN4O and a molecular weight of 200.63 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one
PubChem CID13381138
Molecular FormulaC7H9ClN4O
Molecular Weight200.63 g/mol
Exact Mass200.05
IUPAC Name4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one
SMILESC=NN(C)c1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H9ClN4O/c1-9-11(2)5-4-10-12(3)7(13)6(5)8/h4H,1H2,2-3H3
InChIKeyULJHTTHVGKEDBY-UHFFFAOYSA-N
XLogP0.49
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Methyldesphenylchloridazon
CID 594330
3(2H)-Pyridazinone, 4,5-dichloro-2-methyl-
CID 120462
4-Chloro-2-methyl-5-(methylamino)-2,3-dihydropyridazin-3-one
CID 10631053
4-chloro-2-ethyl-5-(1-methylhydrazino)-3(2H)-pyridazinone
CID 2769256
4-Chloro-2-methyl-5-(1-methylhydrazin-1-yl)-2,3-dihydropyridazin-3-one
CID 2774689
4-Chloro-5-(1-methylhydrazino)-3-pyridazinol
CID 377826
4-Chloro-2-methyl-5-(propan-2-ylamino)pyridazin-3-one
CID 115579930
4-Chloro-5-(dimethylamino)-2-methylpyridazin-3(2H)-one
CID 13410294
5-chloro-4-(dimethylamino)-1H-pyridazin-6-one
CID 15488674
4-Chloro-5-(dimethylamino)-2-fluoropyridazin-3-one
CID 20362072
4-Chloro-5-fluoro-2-methylpyridazin-3-one
CID 84075943
5-Azido-4-chloro-2-methylpyridazin-3(2H)-one
CID 3627545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one (CID 13381138) is 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one is C=NN(C)c1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one?
The InChIKey is ULJHTTHVGKEDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O/c1-9-11(2)5-4-10-12(3)7(13)6(5)8/h4H,1H2,2-3H3.
What are the key properties of 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one has a molecular weight of 200.63 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[methyl-(methylideneamino)amino]pyridazin-3-one is sourced from PubChem (CID 13381138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).