4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one

C9H12ClN3O — CID 86804802

IUPAC4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C9H12ClN3O/c1-6-4-13(5-6)7-3-11-12(2)9(14)8(7)10/h3,6H,4-5H2,1-2H3
InChIKeyVJAGBISIMWTUEB-UHFFFAOYSA-N
MW213.67 g/mol
LogP0.89
Rot. Bonds1

About 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one

4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one (PubChem CID 86804802) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one
PubChem CID86804802
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one
SMILESCC1CN(c2cnn(C)c(=O)c2Cl)C1
InChIInChI=1S/C9H12ClN3O/c1-6-4-13(5-6)7-3-11-12(2)9(14)8(7)10/h3,6H,4-5H2,1-2H3
InChIKeyVJAGBISIMWTUEB-UHFFFAOYSA-N
XLogP0.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one?
The IUPAC name of 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one (CID 86804802) is 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one?
The canonical SMILES for 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one is CC1CN(c2cnn(C)c(=O)c2Cl)C1.
What is the InChIKey of 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one?
The InChIKey is VJAGBISIMWTUEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-6-4-13(5-6)7-3-11-12(2)9(14)8(7)10/h3,6H,4-5H2,1-2H3.
What are the key properties of 4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one?
4-chloro-2-methyl-5-(3-methylazetidin-1-yl)pyridazin-3-one has a molecular weight of 213.67 g/mol, XLogP of 0.89, 1 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-(3-methylazetidin-1-yl)pyridazin-3-one is sourced from PubChem (CID 86804802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).