4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one

C11H16ClN3O — CID 115624676

IUPAC4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one
SMILESCn1ncc(NC2(C)CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O/c1-11(5-3-4-6-11)14-8-7-13-15(2)10(16)9(8)12/h7,14H,3-6H2,1-2H3
InChIKeyPOGDWDJAAIWRCJ-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.18
Rot. Bonds2

About 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one

4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one (PubChem CID 115624676) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one
PubChem CID115624676
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one
SMILESCn1ncc(NC2(C)CCCC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O/c1-11(5-3-4-6-11)14-8-7-13-15(2)10(16)9(8)12/h7,14H,3-6H2,1-2H3
InChIKeyPOGDWDJAAIWRCJ-UHFFFAOYSA-N
XLogP2.18
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one (CID 115624676) is 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one is Cn1ncc(NC2(C)CCCC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one?
The InChIKey is POGDWDJAAIWRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-11(5-3-4-6-11)14-8-7-13-15(2)10(16)9(8)12/h7,14H,3-6H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one?
4-chloro-2-methyl-5-[(1-methylcyclopentyl)amino]pyridazin-3-one has a molecular weight of 241.72 g/mol, XLogP of 2.18, 2 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-[(1-methylcyclopentyl)amino]pyridazin-3-one is sourced from PubChem (CID 115624676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).