4-chloro-5-ethoxy-2-methylpyridazin-3-one

C7H9ClN2O2 — CID 1488767

IUPAC4-chloro-5-ethoxy-2-methylpyridazin-3-one
SMILESCCOc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-3-12-5-4-9-10(2)7(11)6(5)8/h4H,3H2,1-2H3
InChIKeyXPIMLJKEDCWECP-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.83
Rot. Bonds2

About 4-chloro-5-ethoxy-2-methylpyridazin-3-one

4-chloro-5-ethoxy-2-methylpyridazin-3-one (PubChem CID 1488767) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-chloro-5-ethoxy-2-methylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-ethoxy-2-methylpyridazin-3-one
PubChem CID1488767
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-chloro-5-ethoxy-2-methylpyridazin-3-one
SMILESCCOc1cnn(C)c(=O)c1Cl
InChIInChI=1S/C7H9ClN2O2/c1-3-12-5-4-9-10(2)7(11)6(5)8/h4H,3H2,1-2H3
InChIKeyXPIMLJKEDCWECP-UHFFFAOYSA-N
XLogP0.83
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.61
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-ethoxy-2-methylpyridazin-3-one?
The IUPAC name of 4-chloro-5-ethoxy-2-methylpyridazin-3-one (CID 1488767) is 4-chloro-5-ethoxy-2-methylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-ethoxy-2-methylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-ethoxy-2-methylpyridazin-3-one is CCOc1cnn(C)c(=O)c1Cl.
What is the InChIKey of 4-chloro-5-ethoxy-2-methylpyridazin-3-one?
The InChIKey is XPIMLJKEDCWECP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-3-12-5-4-9-10(2)7(11)6(5)8/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-5-ethoxy-2-methylpyridazin-3-one?
4-chloro-5-ethoxy-2-methylpyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-ethoxy-2-methylpyridazin-3-one is sourced from PubChem (CID 1488767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).