4-chloro-2-ethyl-5-methoxypyridazin-3-one

C7H9ClN2O2 — CID 10655246

IUPAC4-chloro-2-ethyl-5-methoxypyridazin-3-one
SMILESCCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-3-10-7(11)6(8)5(12-2)4-9-10/h4H,3H2,1-2H3
InChIKeyRQYPRFFOKUKUCO-UHFFFAOYSA-N
MW188.61 g/mol
LogP0.93
Rot. Bonds2

About 4-chloro-2-ethyl-5-methoxypyridazin-3-one

4-chloro-2-ethyl-5-methoxypyridazin-3-one (PubChem CID 10655246) has the molecular formula C7H9ClN2O2 and a molecular weight of 188.61 g/mol. Its IUPAC name is 4-chloro-2-ethyl-5-methoxypyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-ethyl-5-methoxypyridazin-3-one
PubChem CID10655246
Molecular FormulaC7H9ClN2O2
Molecular Weight188.61 g/mol
Exact Mass188.04
IUPAC Name4-chloro-2-ethyl-5-methoxypyridazin-3-one
SMILESCCn1ncc(OC)c(Cl)c1=O
InChIInChI=1S/C7H9ClN2O2/c1-3-10-7(11)6(8)5(12-2)4-9-10/h4H,3H2,1-2H3
InChIKeyRQYPRFFOKUKUCO-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-ethyl-5-methoxypyridazin-3-one?
The IUPAC name of 4-chloro-2-ethyl-5-methoxypyridazin-3-one (CID 10655246) is 4-chloro-2-ethyl-5-methoxypyridazin-3-one.
What is the SMILES notation for 4-chloro-2-ethyl-5-methoxypyridazin-3-one?
The canonical SMILES for 4-chloro-2-ethyl-5-methoxypyridazin-3-one is CCn1ncc(OC)c(Cl)c1=O.
What is the InChIKey of 4-chloro-2-ethyl-5-methoxypyridazin-3-one?
The InChIKey is RQYPRFFOKUKUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O2/c1-3-10-7(11)6(8)5(12-2)4-9-10/h4H,3H2,1-2H3.
What are the key properties of 4-chloro-2-ethyl-5-methoxypyridazin-3-one?
4-chloro-2-ethyl-5-methoxypyridazin-3-one has a molecular weight of 188.61 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-ethyl-5-methoxypyridazin-3-one is sourced from PubChem (CID 10655246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).