4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one

C11H16ClN3O3S — CID 133344208

IUPAC4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(CS(C)(=O)=O)CC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O3S/c1-15-10(16)9(12)8(5-14-15)13-6-11(3-4-11)7-19(2,17)18/h5,13H,3-4,6-7H2,1-2H3
InChIKeyCKIVHEXTSBAXBY-UHFFFAOYSA-N
MW305.79 g/mol
LogP0.67
Rot. Bonds5

About 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one

4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one (PubChem CID 133344208) has the molecular formula C11H16ClN3O3S and a molecular weight of 305.79 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
PubChem CID133344208
Molecular FormulaC11H16ClN3O3S
Molecular Weight305.79 g/mol
Exact Mass305.06
IUPAC Name4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one
SMILESCn1ncc(NCC2(CS(C)(=O)=O)CC2)c(Cl)c1=O
InChIInChI=1S/C11H16ClN3O3S/c1-15-10(16)9(12)8(5-14-15)13-6-11(3-4-11)7-19(2,17)18/h5,13H,3-4,6-7H2,1-2H3
InChIKeyCKIVHEXTSBAXBY-UHFFFAOYSA-N
XLogP0.67
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.79
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one (CID 133344208) is 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one is Cn1ncc(NCC2(CS(C)(=O)=O)CC2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
The InChIKey is CKIVHEXTSBAXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O3S/c1-15-10(16)9(12)8(5-14-15)13-6-11(3-4-11)7-19(2,17)18/h5,13H,3-4,6-7H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one?
4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one has a molecular weight of 305.79 g/mol, XLogP of 0.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-[[1-(methylsulfonylmethyl)cyclopropyl]methylamino]pyridazin-3-one is sourced from PubChem (CID 133344208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).