5-chloro-2-ethylpyridazin-3-one

C6H7ClN2O — CID 66864934

IUPAC5-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(Cl)cc1=O
InChIInChI=1S/C6H7ClN2O/c1-2-9-6(10)3-5(7)4-8-9/h3-4H,2H2,1H3
InChIKeyQCUMBTKQRLAXEF-UHFFFAOYSA-N
MW158.59 g/mol
LogP0.92
Rot. Bonds1

About 5-chloro-2-ethylpyridazin-3-one

5-chloro-2-ethylpyridazin-3-one (PubChem CID 66864934) has the molecular formula C6H7ClN2O and a molecular weight of 158.59 g/mol. Its IUPAC name is 5-chloro-2-ethylpyridazin-3-one.

Molecular Properties

Compound Name5-chloro-2-ethylpyridazin-3-one
PubChem CID66864934
Molecular FormulaC6H7ClN2O
Molecular Weight158.59 g/mol
Exact Mass158.02
IUPAC Name5-chloro-2-ethylpyridazin-3-one
SMILESCCn1ncc(Cl)cc1=O
InChIInChI=1S/C6H7ClN2O/c1-2-9-6(10)3-5(7)4-8-9/h3-4H,2H2,1H3
InChIKeyQCUMBTKQRLAXEF-UHFFFAOYSA-N
XLogP0.92
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.59
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-ethylpyridazin-3-one?
The IUPAC name of 5-chloro-2-ethylpyridazin-3-one (CID 66864934) is 5-chloro-2-ethylpyridazin-3-one.
What is the SMILES notation for 5-chloro-2-ethylpyridazin-3-one?
The canonical SMILES for 5-chloro-2-ethylpyridazin-3-one is CCn1ncc(Cl)cc1=O.
What is the InChIKey of 5-chloro-2-ethylpyridazin-3-one?
The InChIKey is QCUMBTKQRLAXEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2O/c1-2-9-6(10)3-5(7)4-8-9/h3-4H,2H2,1H3.
What are the key properties of 5-chloro-2-ethylpyridazin-3-one?
5-chloro-2-ethylpyridazin-3-one has a molecular weight of 158.59 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-ethylpyridazin-3-one is sourced from PubChem (CID 66864934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).