4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one

C13H14ClN3O2S — CID 133363707

IUPAC4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
SMILESCn1ncc(N2CCOC(c3cccs3)C2)c(Cl)c1=O
InChIInChI=1S/C13H14ClN3O2S/c1-16-13(18)12(14)9(7-15-16)17-4-5-19-10(8-17)11-3-2-6-20-11/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyPIDGMESEUABSOS-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.07
Rot. Bonds2

About 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one

4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one (PubChem CID 133363707) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
PubChem CID133363707
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one
SMILESCn1ncc(N2CCOC(c3cccs3)C2)c(Cl)c1=O
InChIInChI=1S/C13H14ClN3O2S/c1-16-13(18)12(14)9(7-15-16)17-4-5-19-10(8-17)11-3-2-6-20-11/h2-3,6-7,10H,4-5,8H2,1H3
InChIKeyPIDGMESEUABSOS-UHFFFAOYSA-N
XLogP2.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one (CID 133363707) is 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one is Cn1ncc(N2CCOC(c3cccs3)C2)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one?
The InChIKey is PIDGMESEUABSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-16-13(18)12(14)9(7-15-16)17-4-5-19-10(8-17)11-3-2-6-20-11/h2-3,6-7,10H,4-5,8H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one has a molecular weight of 311.79 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-(2-thiophen-2-ylmorpholin-4-yl)pyridazin-3-one is sourced from PubChem (CID 133363707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).